6-(3-Methyl-5-Nitro-Imidazol-1-Ium-4-Id-4-Yl)Sulfanyl-7H-Purine-1,3,9-Triium-5-Id-2-Amine

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Formula C9H10N8O2S
IUPAC Name 6-(3-methyl-5-nitro-imidazol-1-ium-4-id-4-yl)sulfanyl-7h-purine-1,3,9-triium-5-id-2-amine
Molecular Mass 294.293 g·mol−1
Heat of Formation 487.6 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 306.64 Å 3
Surface Area 271.55 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey JTNWEWGJLJJZCM-UHFFFAOYSA-N
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