| Formula |
C28H18Cl3N3O3S |
| IUPAC Name |
5-[3-chloro-4-[[4-[2-(3,4-dichlorophenyl)-4h-pyrazol-2-ium-4-id-3-yl]phenyl]methylcarbamothioyl]phenyl]furan-2-carboxylic acid |
| Molecular Mass |
582.885 g·mol−1 |
| Heat of Formation |
106.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.74 ± 1.08 D |
| Volume |
626.26 Å 3 |
| Surface Area |
530.85 Å 2 |
| HOMO Energy |
-8.68 ± 0.55 eV |
| LUMO Energy |
1.39 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
XXQKNGSPGDXDMG-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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