1-Mercapto[1,2,4]Triazolo[4,3-A]Quinoxalin-4(5H)-One

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Formula C9H7N4OS++
IUPAC Name 1-sulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline-5,10-diium-4-one
Molecular Mass 219.243 g·mol−1
Heat of Formation 228.7 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 228.03 Å 3
Surface Area 215.42 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry Cs
InChIKey WDUVQRMZWGBWJS-UHFFFAOYSA-N
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