N-Oxo-3-[(3S)-3-(Phenylsulfanylmethyl)-1,2-Dihydrotriazol-5-Yl]Benzamide

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Formula C16H14N4O2S
IUPAC Name n-oxo-3-[(3s)-3-(phenylsulfanylmethyl)-1,2-dihydrotriazol-5-yl]benzamide
Molecular Mass 326.373 g·mol−1
Heat of Formation 438.0 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 373.71 Å 3
Surface Area 296.04 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey YMCCQRYCIRCIGS-UHFFFAOYSA-N
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