Formula |
C25H22ClNO3 |
IUPAC Name |
[(s)-cyano-(3-phenoxyphenyl)methyl] (2s)-2-(4-chlorophenyl)-3-methyl-butanoate |
Molecular Mass |
419.900 g·mol−1 |
Heat of Formation |
-211.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.92 ± 1.08 D |
Volume |
507.33 Å 3 |
Surface Area |
381.11 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
-0.45 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-(4-chlorophenyl)-3-methyl-butyric acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
- (2s)-2-(4-chlorophenyl)-3-methylbutanoic acid [(s)-cyano-[3-(phenoxy)phenyl]methyl] ester
- (s)-cyano(3-phenoxyphenyl)methyl (2s)-2-(4-chlorophenyl)-3-methylbutanoate
- [(s)-cyano-[3-(phenoxy)phenyl]methyl] (2s)-2-(4-chlorophenyl)-3-methyl-butanoate
- [(s)-cyano-[3-(phenoxy)phenyl]methyl] (2s)-2-(4-chlorophenyl)-3-methylbutanoate
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InChIKey |
NYPJDWWKZLNGGM-RPWUZVMVSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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