Formula |
C15H15F3N2O3S |
IUPAC Name |
2-[(1r)-2-ethylsulfonyl-1-hydroxy-1-methyl-ethyl]-6-(trifluoromethyl)indol-1-ium-2-ylium-5-carbonitrile |
Molecular Mass |
360.351 g·mol−1 |
Heat of Formation |
-980.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
14.31 ± 1.08 D |
Volume |
380.03 Å 3 |
Surface Area |
333.65 Å 2 |
HOMO Energy |
-9.21 ± 0.55 eV |
LUMO Energy |
-1.24 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(1r)-2-ethylsulfonyl-1-hydroxy-1-methyl-ethyl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
- 2-[(1r)-2-ethylsulfonyl-1-hydroxy-1-methylethyl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
- 2-[(2r)-1-ethylsulfonyl-2-hydroxy-propan-2-yl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
- 2-[(2r)-1-ethylsulfonyl-2-hydroxypropan-2-yl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
|
InChIKey |
UJGGNFGSHPHGNE-AWEZNQCLSA-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
O
N
S
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