N-[(4S,8E,11S)-4-{(1R)-1-Hydroxy-2-[(3-Isopropylbenzyl)Amino]Ethyl}-2,13-Dioxo-11-Phenyl-6-Oxa-3,12-Diazabicyclo[12.3.1]Octadeca-1(18),8,14,16-Tetraen-16-Yl]-N-Methylmethanesulfonamide
Properties
Property | Value |
---|---|
Formula | C35H44N4O6S |
IUPAC Name | n-[(4s,6e,11s)-11-[(1r)-1-hydroxy-2-[(3-isopropylphenyl)methylamino]ethyl]-2,13-dioxo-4-phenyl-9-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),6,14,16-tetraen-16-yl]-n-methyl-methanesulfonamide |
Molecular Mass | 648.812 g·mol−1 |
Heat of Formation | -770.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.14 ± 1.08 D |
Volume | 785.72 Å 3 |
Surface Area | 647.99 Å 2 |
HOMO Energy | -9.05 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | XYJDOUBLYLOJJL-YNYOQIOBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |