Theoretical study on electronic properties ofthe the [۱,۳]thiazino[۵,۶-b]indoles

Thiazinoindoles represent an interesting group of heterocyclic compounds, becauseof their unusual chemical structure and interesting biological properties. [۱] With thistheory, the properties of a many-electron system can be determined by usingfunctional, i.e. functions, which in this case is the spatially dependent electrondensity. Hence the name density functional theory comes from the use of functionalof the electron density. DFT is among the most popular and versatile methodsavailable in condensed-matter physics, computational physics, and computationalchemistry.However, in the present work we have used B۳LYP/۶-۳۱۱G(d,p) computation tostudy structural, electronic and thermodynamic parameters of the a series of ۱,۳-Thiazino[۵,۶-b] indole .