Electronic Structure of the Azide Group in 3¢-Azido-3¢-deoxythymidine (AZT) Compared to Small Azide Compounds

Electronic Structure of the Azide Group in 3¢-Azido-3¢-deoxythymidine (AZT) Compared to Small Azide Compounds

Theoretical calculations for some structural and electronic properties of the azide moiety in the nucleoside reverse transcriptase (RT) inhibitor 3¢-azido-3¢-deoxythymidine (AZT) are reported. These properties, which include geometrical properties in three dimensional space, Hirshfeld charges, elect...

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Bibliographic Details
Main Authors: Feng Wang, Fang-Fang Chen
Format: Article
Language:English
Published: MDPI AG 2009-07-01
Series:Molecules
Subjects:
azide
azidothymidine
electronic structures
density functional theory
Online Access:http://www.mdpi.com/1420-3049/14/7/2656/

Internet

http://www.mdpi.com/1420-3049/14/7/2656/

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