N-{[(3R,5S)-7-Chloro-5-(2,3-Dimethoxyphenyl)-1-(2,2-Dimethylpropyl)-2-Oxo-1,2,3,5-Tetrahydro-4,1-Benzoxazepin-3-Yl]Acetyl}-L-Aspartic Acid
Properties
Property | Value |
---|---|
Formula | C28H33ClN2O9 |
IUPAC Name | (2s)-2-[[2-[(3r,5s)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5h-4,1-benzoxazepin-3-yl]acetyl]amino]butanedioic acid |
Molecular Mass | 577.023 g·mol−1 |
Heat of Formation | -1540.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.75 ± 1.08 D |
Volume | 665.04 Å 3 |
Surface Area | 507.31 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | 2.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | RKWDCULOIHHIST-SNYIIPAISA-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 Cl |