Formula |
C24H25ClN2O5S |
IUPAC Name |
methyl 3-[[4-[4-[[(1r)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-isoxazol-5-yl]phenyl]methylsulfanyl]propanoate |
Molecular Mass |
488.984 g·mol−1 |
Heat of Formation |
-585.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.50 ± 1.08 D |
Volume |
567.38 Å 3 |
Surface Area |
417.99 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-0.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HHVJBROTJWPHHX-INIZCTEOSA-N |
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Elements |
C
Cl
H
O
N
S
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