(3R)-4-[(3R)-3-Amino-4-(2,4,5-Trifluorophenyl)Butanoyl]-3-Methyl-1,4-Diazepan-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20F3N3O2
IUPAC Name (3r)-4-[(3r)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
Molecular Mass 343.344 g·mol−1
Heat of Formation -871.9 ± 16.7 kJ·mol−1
Dipole Moment 10.28 ± 1.08 D
Volume 393.29 Å 3
Surface Area 326.83 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-4-[(3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-3-methyl-1,4-diazepan-2-one
InChIKey SWKGZJAAGSVROJ-MWLCHTKSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F