1-Methyl-2-Methylsulfonyl-5-Nitro-Imidazol-3-Ium-5-Ide

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Properties Simple | Detailed

Formula C5H8N3O4S
IUPAC Name 1-methyl-2-methylsulfonyl-5-nitro-imidazol-3-ium-5-ide
Molecular Mass 206.200 g·mol−1
Heat of Formation -212.1 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 206.67 Å 3
Surface Area 199.85 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry Cs
InChIKey JZZZPTABXQURAH-UHFFFAOYSA-N
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