(2R,3R)-2-(2,4-Difluorophenyl)-3-[(Trans-2-{(1E,3E)-4-[4-(2,2,3,3-Tetrafluoropropoxy)Phenyl]-1,3-Butadien-1-Yl}-1,3-Dioxan-5-Yl)Phosphino]-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol
Properties
Property | Value |
---|---|
Formula | C29H30F6N3O4P |
IUPAC Name | (2r,3r)-2-(2,4-difluorophenyl)-3-[[2-[(1e,3e)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]phosphanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol |
Molecular Mass | 629.530 g·mol−1 |
Heat of Formation | -1413.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.85 ± 1.08 D |
Volume | 696.86 Å 3 |
Surface Area | 588.93 Å 2 |
HOMO Energy | -8.78 ± 0.55 eV |
LUMO Energy | 2.20 ± eV |
Point Group Symmetry | C1 |
InChIKey | GEPIYSMJYAOIAG-AZNAXWRUSA-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 P |