Formula |
C23H21FN4S |
IUPAC Name |
4-[5-(4-fluorophenyl)-2-methylsulfanyl-imidazol-1-ium-5-ylium-4-yl]-n-[(1r)-1-phenylethyl]pyridin-2-amine |
Molecular Mass |
404.503 g·mol−1 |
Heat of Formation |
234.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.25 ± 1.08 D |
Volume |
491.67 Å 3 |
Surface Area |
400.27 Å 2 |
HOMO Energy |
-8.43 ± 0.55 eV |
LUMO Energy |
-0.47 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[5-(4-fluorophenyl)-2-(methylthio)-1h-imidazol-4-yl]-n-[(1r)-1-phenylethyl]-2-pyridinamine
- 4-[5-(4-fluorophenyl)-2-methylsulfanyl-1h-imidazol-4-yl]-n-[(1r)-1-phenylethyl]pyridin-2-amine
- [4-[5-(4-fluorophenyl)-2-(methylthio)-1h-imidazol-4-yl]-2-pyridyl]-[(1r)-1-phenylethyl]amine
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InChIKey |
VXPWQNBKEIVYIS-OAHLLOKOSA-N |
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Links |
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Elements |
H
S
N
C
F
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