4-({4-[(3R)-3-Amino-4-(2,4,5-Trifluorophenyl)Butanoyl]-1,4-Diazepan-1-Yl}Carbonyl)Benzoic Acid
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |