Formula |
C8H12ClNO3S |
IUPAC Name |
(2r)-2-acetamido-3-[(e)-3-chloroallyl]sulfanyl-propanoic acid |
Molecular Mass |
237.704 g·mol−1 |
Heat of Formation |
-586.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.88 ± 1.08 D |
Volume |
265.92 Å 3 |
Surface Area |
236.43 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
2.62 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-acetamido-3-[(e)-3-chloroprop-2-enyl]sulfanyl-propanoic acid
- (2r)-2-acetamido-3-[(e)-3-chloroprop-2-enyl]sulfanylpropanoic acid
- (2r)-2-acetamido-3-[[(e)-3-chloroprop-2-enyl]thio]propanoic acid
- (2r)-2-acetamido-3-[[(e)-3-chloroprop-2-enyl]thio]propionic acid
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CAS Number(s) |
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InChIKey |
HTIMWNVASRHSBX-AIYRYJHASA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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