Formula |
C16H12FN3OS |
IUPAC Name |
(1s)-6-(4-fluorophenyl)-5-(4-pyridyl)-2,3-dihydroimidazo[2,1-b]thiazol-4-ium-7a-ylium 1-oxide |
Molecular Mass |
313.349 g·mol−1 |
Heat of Formation |
101.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.09 ± 1.08 D |
Volume |
342.89 Å 3 |
Surface Area |
304.15 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
-0.83 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZFGBVAXZSVZTFA-QFIPXVFZSA-N |
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Elements |
C
F
H
O
N
S
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