Formula |
C23H19ClO3S |
IUPAC Name |
(2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid |
Molecular Mass |
410.913 g·mol−1 |
Heat of Formation |
-315.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.42 ± 1.08 D |
Volume |
494.08 Å 3 |
Surface Area |
377.23 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-4-[4-(4-chlorophenyl)phenyl]-4-keto-2-[(phenylthio)methyl]butyric acid
- (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
- (2s)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-[(phenylthio)methyl]butanoic acid
- bay-12-9566
- d03802
- tanomastat (usan)
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InChIKey |
JXAGDPXECXQWBC-LJQANCHMSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
Cl
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