(2S)-3-(2H-Indol-1-Ium-2-Ylium-3-Yl)-2-Methyl-2-[(4-Nitrophenyl)Carbamoylamino]-N-[[1-(3H-Pyridin-1-Ium-3-Id-6-Yl)Cyclohexyl]Methyl]Propanamide

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Properties Simple | Detailed

Formula C31H35N6O4
IUPAC Name (2s)-3-(2h-indol-1-ium-2-ylium-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-n-[[1-(3h-pyridin-1-ium-3-id-6-yl)cyclohexyl]methyl]propanamide
Molecular Mass 555.647 g·mol−1
Heat of Formation -181.6 ± 16.7 kJ·mol−1
Dipole Moment 10.86 ± 1.08 D
Volume 659.41 Å 3
Surface Area 468.41 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
InChIKey SCKKOOJZISPECI-PMERELPUSA-N
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