3-(2-Chloro-5-Nitro-Phenyl)Sulfonyl-2-Methyl-5H-Benzimidazol-3-Ium-5-Ide

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Properties Simple | Detailed

Formula C14H10ClN3O4S
IUPAC Name 3-(2-chloro-5-nitro-phenyl)sulfonyl-2-methyl-5h-benzimidazol-3-ium-5-ide
Molecular Mass 351.765 g·mol−1
Heat of Formation -94.5 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 352.49 Å 3
Surface Area 297.14 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -2.44 ± eV
Point Group Symmetry C1
InChIKey XGRPXWQBIGRSKG-UHFFFAOYSA-N
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