Formula |
C31H39N7O3S |
IUPAC Name |
n-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2h-quinolin-3-yl]-n-[[1-(2,2-dimethylpropanoyl)-4-piperidyl]methyl]pyridine-2-sulfonamide |
Molecular Mass |
589.751 g·mol−1 |
Heat of Formation |
-84.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.82 ± 1.08 D |
Volume |
715.13 Å 3 |
Surface Area |
564.67 Å 2 |
HOMO Energy |
-8.45 ± 0.55 eV |
LUMO Energy |
-1.08 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CELUTJFWLRRYCZ-AREMUKBSSA-N |
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Elements |
H
S
C
O
N
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