The calculation generates the stable 3D structures, conformers of a given molecule. The stability of the conformers is estimated through comparing their energy content, calculated in the framework of a molecular mechanics force-field. The 3D structure (conformation) strongly affects the properties and the reactions of molecules.
For more information regarding this plugin, see Conformer Plugin.
The Stereoisomer Plugin produces all possible stereoisomers of a given compound. The plugin handles both tetrahedral and double bond stereogenic centers. Identical stereo-isomers of a molecule are filtered out; energetically impossible conformations can also be filtered.
Lone pair, radical electron, or formal charge of certain atoms in a molecule can migrate within a delocalized system. Some resonance structures are stable, these structures are called mesomer structures. Our resonance structure generator creates all resonance forms of a molecule.
For more information regarding this plugin, see Resonance Plugin.
Returns the number of resonant structures.