Formula |
C32H27Cl2N3O4 |
IUPAC Name |
3-[[4-[(1s)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxy-2-naphthyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid |
Molecular Mass |
588.480 g·mol−1 |
Heat of Formation |
-323.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.70 ± 1.08 D |
Volume |
667.1 Å 3 |
Surface Area |
512.2 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
1.91 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DNTVJEMGHBIUMW-IBGZPJMESA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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