| Formula |
C29H18Cl3N3O5S |
| IUPAC Name |
5-[4-[[[4-(5-carboxy-2-furyl)-2-chloro-benzenecarbothioyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)-4h-pyrazol-1-ium-4-ide-3-carboxylic acid |
| Molecular Mass |
626.894 g·mol−1 |
| Heat of Formation |
-244.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.35 ± 1.08 D |
| Volume |
668.16 Å 3 |
| Surface Area |
555.43 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
1.41 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
RSWLTGWUCSWTHA-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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