Formula |
C25H25ClFN3O4S |
IUPAC Name |
(2s,4r)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-n-(1-methanimidoylcyclopropyl)pyrrolidine-2-carboxamide |
Molecular Mass |
518.000 g·mol−1 |
Heat of Formation |
-434.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.34 ± 1.08 D |
Volume |
575.28 Å 3 |
Surface Area |
442.21 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZYXXDTSBKAWETF-OIRADOGLSA-N |
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Elements |
C
F
H
Cl
O
N
S
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