Formula |
C23H20Cl2N2O3S |
IUPAC Name |
(3r)-3-benzyl-4-[cyclopropyl-[4-(2,5-dichlorophenyl)thiazol-2-yl]amino]-4-oxo-butanoic acid |
Molecular Mass |
475.388 g·mol−1 |
Heat of Formation |
-231.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.63 ± 1.08 D |
Volume |
537.7 Å 3 |
Surface Area |
421.15 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
-1.27 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LCRQPJWEPVZEBE-OAHLLOKOSA-N |
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Elements |
C
Cl
H
O
N
S
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