N-[4-Methyl-3-(1H-1,2,4-Triazol-3-Yl)-2-Thienyl]-2-(2-Oxo-3,4-Dihydro-1(2H)-Quinolinyl)Acetamide

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Formula C18H17N5O2S
IUPAC Name n-[4-(1-aza-2-azonia-4-azanidacyclopenta-2,5-dien-3-yl)-3-methyl-2h-thiophen-1-ium-2-ylium-5-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
Molecular Mass 367.425 g·mol−1
Heat of Formation 14.6 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 408.87 Å 3
Surface Area 359.11 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey HJUDFJRTVGXBRF-UHFFFAOYSA-N
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