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Journal of Chemistry
/
2018
/
Article
/
Tab 3
/
Research Article
Evaluation of Novel
N
-(Dibenzylcarbamothioyl)benzamide Derivatives as Antibacterial Agents by Using DFT and Drug-Likeness Assessment
Table 3
List of HOMO-LUMO energy of compounds
2a
and
2b
.
Compounds
HOMO (eV)
LUMO (eV)
HOMO-LUMO (eV)
2a
5.8295
1.8492
3.980
2b
5.9541
1.8229
4.131