N-[(1S,2S)-3-(3,5-Difluorophenyl)-1-Hydroxy-1-{(2R)-4-[(3-Methylphenyl)Sulfonyl]-2-Piperazinyl}-2-Propanyl]-3-{[(2R)-2-(Methoxymethyl)-1-Pyrrolidinyl]Carbonyl}-5-Methylbenzamide
Properties
Property | Value |
---|---|
Formula | C35H42F2N4O6S |
IUPAC Name | n-[(1s,2s)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r,4s)-4-(m-tolylsulfonyl)piperazin-2-yl]ethyl]-3-[(2r)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-benzamide |
Molecular Mass | 684.793 g·mol−1 |
Heat of Formation | -1244.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.79 ± 1.08 D |
Volume | 817.3 Å 3 |
Surface Area | 614.23 Å 2 |
HOMO Energy | -9.07 ± 0.55 eV |
LUMO Energy | 2.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | CQQMWBPWYUPVOC-PPESYSCFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |