Characterization of keto and enol forms of indoline-2,3-dione-3-oxime using avogadro software tool (A theoretical study)

Abstract

Avogadro is a scientific software tool used as a molecule editor and visualizer. Avogadro is very much useful in teaching as it helps in the building of realistic models. Indoline-2,3-dione-3-oxime (IDOX) (Isatin-3-oxime) is used as a anticonvulsant and is known for treating various disorders caused by release of amino acids responsible for anxiety and excitatory behavior. In view of the biological importance of IDOX,the keto and enol forms of the molecule were constructed by using Avogadro 1.1 software, With the help of this software the molecular properties, atom Properties and bond properties of both forms of IDOX were determined and the presence of tautomerism between both forms of the compound IDOX is indicated. Standard molecular structure representations of keto form and enol forms of the compound IDOX so obtained by using chemical builder Avogadro 1.1 enabled to understand the structural aspects of both forms of IDOX.