1-(2-Ethylsulfanylethyl)-2-Methyl-5-Nitro-Imidazol-3-Ium-5-Ide

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Properties Simple | Detailed

Formula C8H14N3O2S
IUPAC Name 1-(2-ethylsulfanylethyl)-2-methyl-5-nitro-imidazol-3-ium-5-ide
Molecular Mass 216.281 g·mol−1
Heat of Formation 63.2 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 254.98 Å 3
Surface Area 242.19 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
InChIKey KECWUYLIKGUQNH-UHFFFAOYSA-N
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