N'-{(1R,2S)-3-(3,5-Difluorophenyl)-1-[(2R,4S)-4-Ethoxy-2-Piperidinyl]-1-Hydroxy-2-Propanyl}-5-Methyl-N,N-Dipropylisophthalamide
Properties
Property | Value |
---|---|
Formula | C31H43F2N3O4 |
IUPAC Name | n1-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-[(2r,4s)-4-ethoxy-2-piperidyl]-2-hydroxy-ethyl]-5-methyl-n3,n3-dipropyl-benzene-1,3-dicarboxamide |
Molecular Mass | 559.688 g·mol−1 |
Heat of Formation | -1162.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.24 ± 1.08 D |
Volume | 715.95 Å 3 |
Surface Area | 568.34 Å 2 |
HOMO Energy | -9.07 ± 0.55 eV |
LUMO Energy | -0.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | JWYOKBPWLVCFKU-ICYKMPLBSA-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 |