N-(2-Chloro-6-Fluorobenzyl)-1-Methyl-N-{[3'-(Methylsulfonyl)-4-Biphenylyl]Methyl}-1H-Imidazole-4-Sulfonamide

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Properties Simple | Detailed

Formula C25H23ClFN3O4S2
IUPAC Name n-[(2-chloro-6-fluoro-phenyl)methyl]-3-methyl-n-[[4-(3-methylsulfonylphenyl)phenyl]methyl]-4h-imidazol-3-ium-4-ylium-5-sulfonamide
Molecular Mass 548.049 g·mol−1
Heat of Formation -483.1 ± 16.7 kJ·mol−1
Dipole Moment 13.41 ± 1.08 D
Volume 589.3 Å 3
Surface Area 476.49 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey AYVVQXQFVKEXMX-UHFFFAOYSA-N
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