3-(3-Methyl-5-Nitro-Imidazol-1-Ium-4-Id-4-Yl)Sulfanyl-Blahcyclopenta-3,4,5-Triene

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Formula C6H7N6O2S
IUPAC Name 3-(3-methyl-5-nitro-imidazol-1-ium-4-id-4-yl)sulfanyl-blahcyclopenta-3,4,5-triene
Molecular Mass 227.224 g·mol−1
Heat of Formation 369.4 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 233.17 Å 3
Surface Area 218.59 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey JVBOKACPJFQHCU-UHFFFAOYSA-N
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