Formula |
C25H24FNO2S |
IUPAC Name |
s-(4-fluorophenyl) 3-(dimethylamino)-5-[(e)-2-(4-hydroxy-3,5-dimethyl-phenyl)vinyl]benzenecarbothioate |
Molecular Mass |
421.527 g·mol−1 |
Heat of Formation |
-243.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.57 ± 1.08 D |
Volume |
503.85 Å 3 |
Surface Area |
454.3 Å 2 |
HOMO Energy |
-8.49 ± 0.55 eV |
LUMO Energy |
2.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HDIQCNNYMZBHKA-AATRIKPKSA-N |
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Elements |
C
F
H
O
N
S
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