Formula |
C24H27ClN4O2S |
IUPAC Name |
(2s)-2-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-3-[2-propyl-4-(1h-pyrazol-4-yl)-3-thienyl]propanoic acid |
Molecular Mass |
471.015 g·mol−1 |
Heat of Formation |
-125.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.13 ± 1.08 D |
Volume |
556.69 Å 3 |
Surface Area |
421.69 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
-1.05 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GZLUSHWHRPZJDJ-FQEVSTJZSA-N |
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Elements |
C
Cl
H
O
N
S
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