2-Methyl-2-Propanyl 4-({(2-{(4-Cyanophenyl)[(1-Methyl-1H-Imidazol-5-Yl)Methyl]Amino}Ethyl)[(2-Methylphenyl)Sulfonyl]Amino}Methyl)-1-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C32H42N6O4S
IUPAC Name tert-butyl 4-[[2-[4-cyano-n-[(3-methylimidazol-3-ium-4-ylium-4-yl)methyl]anilino]ethyl-(o-tolylsulfonyl)amino]methyl]piperidine-1-carboxylate
Molecular Mass 606.779 g·mol−1
Heat of Formation -459.4 ± 16.7 kJ·mol−1
Dipole Moment 11.46 ± 1.08 D
Volume 739.2 Å 3
Surface Area 516.55 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey CHEKEDNUVFBGCF-UHFFFAOYSA-N
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