N'-[(1R,2S)-1-[(2R,4S)-4-Benzyl-2-Piperidinyl]-3-(3,5-Difluorophenyl)-1-Hydroxy-2-Propanyl]-5-Methyl-N,N-Dipropylisophthalamide
Properties
Property | Value |
---|---|
Formula | C36H45F2N3O3 |
IUPAC Name | n1-[(1s,2r)-2-[(2r,4s)-4-benzyl-2-piperidyl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n3,n3-dipropyl-benzene-1,3-dicarboxamide |
Molecular Mass | 605.758 g·mol−1 |
Heat of Formation | -895.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.19 ± 1.08 D |
Volume | 776.49 Å 3 |
Surface Area | 610.13 Å 2 |
HOMO Energy | -9.08 ± 0.55 eV |
LUMO Energy | 2.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | UKXYKYZOSFWZIM-FLQGXGFZSA-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 |