Formula |
C23H22ClFN2O5S3 |
IUPAC Name |
2-(5-chloro-2-thienyl)-n-[(3s)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-pyrrolidin-3-yl]ethanesulfonamide |
Molecular Mass |
557.078 g·mol−1 |
Heat of Formation |
-751.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.08 ± 1.08 D |
Volume |
584.86 Å 3 |
Surface Area |
489.44 Å 2 |
HOMO Energy |
-9.37 ± 0.55 eV |
LUMO Energy |
2.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MRKBPFVJGAHTFU-IBGZPJMESA-N |
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Elements |
C
Cl
H
F
O
N
S
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