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 |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
S
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