(2R,4S,5S)-5-Amino-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxo-1-Piperazinyl]-2-Ethyl-4-Hydroxy-N-(5-Hydroxyadamantan-2-Yl)Hexanamide

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Properties Simple | Detailed

Formula C30H45ClN4O4
IUPAC Name (2r,4s,5s)-5-amino-6-[(1r)-4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-2-ethyl-4-hydroxy-n-[(1s,3r)-5-hydroxy-2-adamantyl]hexanamide
Molecular Mass 561.156 g·mol−1
Heat of Formation -885.3 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 690.68 Å 3
Surface Area 541.38 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey MGQQKSSUXHKDSK-PTMRNKDMSA-N
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