Formula |
C33H29BrN2O3 |
IUPAC Name |
2-[4-[[5-[[(1s)-1-(4-bromophenyl)ethyl]carbamoyl]-2,3-dimethyl-indol-1-yl]methyl]phenyl]benzoic acid |
Molecular Mass |
581.499 g·mol−1 |
Heat of Formation |
-166.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.57 ± 1.08 D |
Volume |
650.38 Å 3 |
Surface Area |
538.91 Å 2 |
HOMO Energy |
-8.30 ± 0.55 eV |
LUMO Energy |
-0.73 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HBMXDCXJXYASGW-NRFANRHFSA-N |
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Links |
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Elements |
H
C
O
Br
N
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