Formula |
C26H27ClN2O3S2 |
IUPAC Name |
3-[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-methyl]sulfanylpropanoic acid |
Molecular Mass |
515.087 g·mol−1 |
Heat of Formation |
-321.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.27 ± 1.08 D |
Volume |
611.46 Å 3 |
Surface Area |
468.16 Å 2 |
HOMO Energy |
-8.84 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-(3-dimethylamino-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoic acid
- 3-[(r)-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoic acid
- 3-[(r)-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxopropyl)sulfanylmethyl]sulfanylpropanoic acid
- 3-[[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[(3-dimethylamino-3-keto-propyl)thio]methyl]thio]propionic acid
- 3-[[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[(3-dimethylamino-3-oxopropyl)thio]methyl]thio]propanoic acid
- d02384
- verlukast (usan)
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InChIKey |
AXUZQJFHDNNPFG-LHAVAQOQSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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