4-{[(5R,7S)-1-(3-Fluorophenyl)-3,7-Dimethyl-2,2-Dioxido-2-Thia-1,3,8-Triazaspiro[4.5]Dec-8-Yl]Methyl}-2-Isopropoxyphenol
Properties
Property | Value |
---|---|
Formula | C24H32FN3O4S |
IUPAC Name | 4-[[(1r,3r,5r,7s,8r)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-2-isopropoxy-phenol |
Molecular Mass | 477.592 g·mol−1 |
Heat of Formation | -730.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.54 ± 1.08 D |
Volume | 564.6 Å 3 |
Surface Area | 446.67 Å 2 |
HOMO Energy | -8.77 ± 0.55 eV |
LUMO Energy | 2.70 ± eV |
Point Group Symmetry | C1 |
InChIKey | UICGCQDWRACUBV-MHECFPHRSA-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 |