(2S)-3-Indol-1-Ium-3-Yl-N-[[1-(5-Methoxy-3H-Pyridin-1-Ium-3-Id-2-Yl)Cyclohexyl]Methyl]-2-Methyl-2-[(4-Nitrophenyl)Carbamoylamino]Propanamide

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Properties Simple | Detailed

Formula C32H37N6O5
IUPAC Name (2s)-3-indol-1-ium-3-yl-n-[[1-(5-methoxy-3h-pyridin-1-ium-3-id-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
Molecular Mass 585.673 g·mol−1
Heat of Formation -348.0 ± 16.7 kJ·mol−1
Dipole Moment 9.84 ± 1.08 D
Volume 695.51 Å 3
Surface Area 486.91 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
InChIKey CRYCJXCZABYFBU-HKBQPEDESA-N
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