N-{(1S)-1-Cyclohexyl-2-Oxo-2-[(2S)-2-(4-Phenyl-1,3-Benzothiazol-2-Yl)-1-Pyrrolidinyl]Ethyl}-N~2~-Methyl-L-Alaninamide

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Properties Simple | Detailed

Formula C29H36N4O2S
IUPAC Name (2s)-n-[(1s)-1-cyclohexyl-2-oxo-2-[(2s)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
Molecular Mass 504.687 g·mol−1
Heat of Formation -198.2 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 629.05 Å 3
Surface Area 507.81 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey ZMBDQSBUBMMIRB-QXWFJRNPSA-N
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