4-({4-[(3R)-3-Amino-4-(2,4,5-Trifluorophenyl)Butanoyl]-1,4-Diazepan-1-Yl}Carbonyl)Benzoic Acid

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Formula C23H24F3N3O4
IUPAC Name 4-[4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepane-1-carbonyl]benzoic acid
Molecular Mass 463.450 g·mol−1
Heat of Formation -1130.9 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 520.53 Å 3
Surface Area 435.92 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
InChIKey NXUBRAZWHJADLI-QGZVFWFLSA-N
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