Tautomerism in Flindersine - A DFT Treatment
Open Access
- 13 June 2020
- journal article
- Published by Earthline Publishers in Earthline Journal of Chemical Sciences
- Vol. 4 (2), 89-104
- https://doi.org/10.34198/ejcs.4220.89104
Abstract
Flindersine is a natural product of plant kingdom. Its structure contains a lactam group which could undergo 1,3-type proton tautomerism. It also has an embedded pyran moiety which might show valence tautomerism. Presently, those tautomers are investigated within the restrictions of density functional theory at the level of B3LYP/6-311++G(d,p). Certain quantum chemical output has been collected compared and discussed. Also the possibility of valence tautomerism has been searched by proposing two transition state paths.Keywords
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