2-({[(2R,4S)-2-[2-(4-Chlorophenyl)Ethyl]-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl}Sulfanyl)-5-(Trifluoromethyl)Pyridine

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21ClF3N3O2S
IUPAC Name 2-[[(2r,4s)-2-[2-(4-chlorophenyl)ethyl]-2-(2h-imidazol-1-ium-2-ylium-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]-5-(trifluoromethyl)pyridine
Molecular Mass 483.934 g·mol−1
Heat of Formation -718.4 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 531.78 Å 3
Surface Area 450.62 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey QJIXKBNNYAEGKH-PZJWPPBQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N S