N-{6-Cyano-1-[(1-Methyl-1H-Imidazol-5-Yl)Methyl]-1,2,3,4-Tetrahydro-3-Quinolinyl}-N-{[1-(2,2-Dimethylpropanoyl)-4-Piperidinyl]Methyl}-2-Pyridinesulfonamide

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Properties Simple | Detailed

Formula C31H39N7O3S
IUPAC Name n-[(1r,3r)-6-cyano-1-[(3-methylimidazol-3-ium-4-ylium-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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