N-[(2S)-3-Methyl-2-{[4-(4-Morpholinylcarbonyl)Benzoyl]Amino}Butanoyl]-1-(5,5,6,6,6-Pentafluoro-2-Methyl-4-Oxo-3-Hexanyl)-L-Prolinamide

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Properties Simple | Detailed

Formula C29H37F5N4O6
IUPAC Name (1s,2s)-n-[(2s)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-1-[(1r)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl]pyrrolidine-2-carboxamide
Molecular Mass 632.619 g·mol−1
Heat of Formation -2037.5 ± 16.7 kJ·mol−1
Dipole Moment 8.09 ± 1.08 D
Volume 714.19 Å 3
Surface Area 552.67 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey KJYGCHKDMFCNGP-FDFHNCONSA-N
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