Formula |
C28H32ClN3O3 |
IUPAC Name |
2-(4-chlorophenyl)-3-[(1s)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]benzimidazole-5-carboxylic acid |
Molecular Mass |
494.025 g·mol−1 |
Heat of Formation |
-453.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.69 ± 1.08 D |
Volume |
589.19 Å 3 |
Surface Area |
457.31 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
-1.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BGTNSFBYQMPTOK-VWLOTQADSA-N |
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Elements |
H
C
Cl
O
N
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