Formula |
C32H34Cl2N6O6S |
IUPAC Name |
(2s)-n-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2s)-2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxo-butanoyl]pyrrolidine-2-carboxamide |
Molecular Mass |
701.620 g·mol−1 |
Heat of Formation |
-771.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.38 ± 1.08 D |
Volume |
784.8 Å 3 |
Surface Area |
601.21 Å 2 |
HOMO Energy |
-9.36 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MSHHPYQVXLZTQG-NSOVKSMOSA-N |
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Elements |
C
Cl
H
O
N
S
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