Formula |
C16H13Cl3N2OS |
IUPAC Name |
3-[(2r)-2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-4h-imidazol-3-ium-4-ylium |
Molecular Mass |
387.711 g·mol−1 |
Heat of Formation |
83.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.90 ± 1.08 D |
Volume |
418.85 Å 3 |
Surface Area |
346.34 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
-0.96 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QXHHHPZILQDDPS-HNNXBMFYSA-N |
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Elements |
C
Cl
H
O
N
S
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