5-{[(5-Bromo-1H-Benzimidazol-2-Yl)Sulfanyl]Acetyl}-2-Chlorobenzenesulfonamide

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Properties Simple | Detailed

Formula C15H11BrClN3O3S2
IUPAC Name 5-[2-(5-bromobenzimidazol-1-ium-2-ylium-2-yl)sulfanylacetyl]-2-chloro-benzenesulfonamide
Molecular Mass 460.753 g·mol−1
Heat of Formation -152.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 420.7 Å 3
Surface Area 379.58 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey ABLVCEKUEJSYQL-UHFFFAOYSA-N
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Elements C Cl H O N S Br