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The skeletal formula of the antidepressant drug escitalopram, featuring skeletal representations of heteroatoms, a triple bond, phenyl groups and stereochemistry. The skeletal formula, line-angle formula, bond-line formula or shorthand formula of an organic compound is a type of molecular structural formula that serves as a shorthand representation of a molecule's bonding and some details of ...
SLN uses largely the same bonding notation as SMILES, with -, =, #, and : for single, double, triple, and aromatic bonds. . is used for zero-order bonds, similarly to reaction SMILES, although a + is preferred for distinct molecules. Most single bonds are implicit, so CH3CH3(CH 3 CH 3) can be used instead of CH3-CH3(CH 3 –CH 3) for ethane ...
The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
A bond angle is the geometric angle between two adjacent bonds. Some common shapes of simple molecules include: Linear: In a linear model, atoms are connected in a straight line. The bond angles are set at 180°. For example, carbon dioxide and nitric oxide have a linear molecular shape.
In organic chemistry, an acetyl group is a functional group denoted by the chemical formula −COCH 3 and the structure −C(=O)−CH 3. It is sometimes represented by the symbol Ac [5] [6] (not to be confused with the element actinium). In IUPAC nomenclature, an acetyl group is called an ethanoyl group.
The general notation for hydrogen bonding is Dn−H···Ac, where the solid line represents a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond. [6] The most frequent donor and acceptor atoms are nitrogen (N), oxygen (O), and fluorine (F), due to their high electronegativity and ability to engage in stronger ...
In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron.The bond angles are arccos(− 1 / 3 ) = 109.4712206...° ≈ 109.5° when all four substituents are the same, as in methane (CH 4) [1] [2] as well as its heavier analogues.
Each of the four bonds in the linkage has a bond order of about 1.5, and the two oxygen atoms equally share the negative charge. The acetylacetonate anion is a bidentate ligand . IUPAC recommended p K a values for this equilibrium in aqueous solution at 25 °C are 8.99 ± 0.04 ( I = 0), 8.83 ± 0.02 ( I = 0.1 M NaClO 4 ) and 9.00 ± 0.03 ( I ...