2-{[(1H-1,2,4-Triazol-3-Ylsulfanyl)Acetyl]Amino}-3-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C9H9N5O2S2
IUPAC Name 2-[[2-(1h-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
Molecular Mass 283.330 g·mol−1
Heat of Formation -23.1 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 294.39 Å 3
Surface Area 280.35 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry Cs
InChIKey JVENGIHWHCEXOC-UHFFFAOYSA-N
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