Formula |
C17H16FNOS |
IUPAC Name |
2-(3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanyl-n-methyl-ethanamine |
Molecular Mass |
301.378 g·mol−1 |
Heat of Formation |
-58.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.81 ± 1.08 D |
Volume |
351.9 Å 3 |
Surface Area |
317.29 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
-1.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 2-(8-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methyl-ethanamine
- 2-(8-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-n-methylethanamine
- 2-[(8-fluoro-6-benzo[b][1]benzoxepinyl)thio]-n-methylethanamine
- 2-[(8-fluorobenzo[b][1]benzoxepin-6-yl)thio]ethyl-methyl-amine
|
InChIKey |
LEBFQNREPOQDII-UHFFFAOYSA-N |
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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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