Formula |
C28H25Cl4N5O2 |
IUPAC Name |
[(1r)-1-(2,4-dichlorophenyl)-2-(4h-imidazol-3-ium-4-ylium-3-yl)ethyl] n-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl]carbamate |
Molecular Mass |
605.342 g·mol−1 |
Heat of Formation |
6.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.16 ± 1.08 D |
Volume |
670.85 Å 3 |
Surface Area |
546.54 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
1.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RKYWJGOKHMLHHS-MHZLTWQESA-N |
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Elements |
H
C
N
O
Cl
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