Formula |
C32H34Cl2N4O4S |
IUPAC Name |
(3z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2s)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrol-1-ium-3-id-2-yl]methylene]indolin-2-one |
Molecular Mass |
641.608 g·mol−1 |
Heat of Formation |
-482.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.48 ± 1.08 D |
Volume |
714.73 Å 3 |
Surface Area |
583.09 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
-1.34 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OYONTEXKYJZFHA-MVUTXWCHSA-N |
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Elements |
C
Cl
H
O
N
S
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