Formula |
C26H26ClN3O3 |
IUPAC Name |
(2s)-2-tert-butoxy-2-[6-(6-chloro-1h-benzimidazol-2-yl)-2,5-dimethyl-4-phenyl-3-pyridyl]acetic acid |
Molecular Mass |
463.956 g·mol−1 |
Heat of Formation |
-315.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.06 ± 1.08 D |
Volume |
544.02 Å 3 |
Surface Area |
438.8 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-1.42 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CTTJHLOYHQRQKO-QHCPKHFHSA-N |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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