3-Methyl-5-Nitro-Imidazol-1-Ium-4-Ide-4-Thiol

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Properties Simple | Detailed

Formula C4H6N3O2S
IUPAC Name 3-methyl-5-nitro-imidazol-1-ium-4-ide-4-thiol
Molecular Mass 160.174 g·mol−1
Heat of Formation 160.8 ± 16.7 kJ·mol−1
Dipole Moment 10.02 ± 1.08 D
Volume 168.25 Å 3
Surface Area 168.6 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry Cs
InChIKey HRMVZGWTLHEBEW-UHFFFAOYSA-N
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