New Organic–Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution

New Organic–Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution

In this study, we report the synthesis of a new organic–inorganic molecular salt of the clinically used antifungal drug fluconazole, (H2Fluconazole).SnCl<sub>6</sub>.2H<sub>2</sub>O. By detailed investigation and analysis of its structural properties, we show that the structu...

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Bibliographic Details
Main Authors: Hela Ferjani, Rim Bechaieb, Marzook Alshammari, O. M. Lemine, Necmi Dege
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:International Journal of Molecular Sciences
Subjects:
crystal structure
fluconazole drug
salt
spectroscopy
optical and magnetic studies
DFT
Online Access:https://www.mdpi.com/1422-0067/23/15/8765

Internet

https://www.mdpi.com/1422-0067/23/15/8765

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