Formula |
C16H10FN5OS2 |
IUPAC Name |
(5z)-5-[[5-(4-fluorophenyl)pyrazol-1-ium-2-id-4-yl]methylene]-2-imino-3-thiazol-2-yl-thiazolidin-4-one |
Molecular Mass |
371.412 g·mol−1 |
Heat of Formation |
283.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.89 ± 1.08 D |
Volume |
390.29 Å 3 |
Surface Area |
335.12 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
1.72 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SMJGLNVGTJLIRV-WRFIWQJHSA-N |
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Elements |
C
F
H
O
N
S
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