2-[(2,6-Dichloro-3-{[(2,2-Dimethylpropanoyl)Amino]Methyl}Phenyl)Amino]-6-(2-Hydroxy-2-Methylpropoxy)-1-Methyl-N-(2,2,2-Trifluoroethyl)-1H-Benzimidazole-5-Carboxamide

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Formula C27H32Cl2F3N5O4
IUPAC Name 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2-hydroxy-2-methyl-propoxy)-1-methyl-n-(2,2,2-trifluoroethyl)benzimidazol-1-ium-5-carboxamide
Molecular Mass 618.475 g·mol−1
Heat of Formation -1340.4 ± 16.7 kJ·mol−1
Dipole Moment 11.00 ± 1.08 D
Volume 687.31 Å 3
Surface Area 549.71 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey CHFOASGROVVRSK-UHFFFAOYSA-N
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Elements C Cl H F O N