Formula |
C25H25BrClN3O4S |
IUPAC Name |
(2s,4r)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-(2-chlorophenyl)sulfonyl-n-(1-methanimidoylcyclopropyl)pyrrolidine-2-carboxamide |
Molecular Mass |
578.906 g·mol−1 |
Heat of Formation |
-244.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.42 ± 1.08 D |
Volume |
591.38 Å 3 |
Surface Area |
470.14 Å 2 |
HOMO Energy |
-9.32 ± 0.55 eV |
LUMO Energy |
-1.45 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JULPOVZLNNTNGB-OIRADOGLSA-N |
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Elements |
C
Cl
H
O
N
S
Br
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