| Formula |
C17H9ClFN3O2S2 |
| IUPAC Name |
3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-1-aza-4-azonia-2-azanidacyclopenta-3,5-dien-4-yl]benzothiophene-2-carboxylic acid |
| Molecular Mass |
405.854 g·mol−1 |
| Heat of Formation |
-78.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.50 ± 1.08 D |
| Volume |
413.05 Å 3 |
| Surface Area |
353.8 Å 2 |
| HOMO Energy |
-9.12 ± 0.55 eV |
| LUMO Energy |
1.00 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PNSKQUARDFXFAX-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
F
H
Cl
O
N
S
|
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