N-Acetyl-S-(3,4-Dichlorophenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H11Cl2NO3S
IUPAC Name (2r)-2-acetamido-3-(3,4-dichlorophenyl)sulfanyl-propanoic acid
Molecular Mass 308.181 g·mol−1
Heat of Formation -570.7 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 327.98 Å 3
Surface Area 268.24 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(3,4-dichlorophenyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[(3,4-dichlorophenyl)thio]propanoic acid
  • (2r)-2-acetamido-3-[(3,4-dichlorophenyl)thio]propionic acid
  • (3,4-dichlorophenyl)mercapturic acid
  • 3,4-dcpma
  • alanine, n-acetyl-3-((3,4-dichlorophenyl)thio)-
  • n-acetyl-s-(3,4-dichlorophenyl)cysteine
CAS Number(s)
  • 13443-69-1
InChIKey JYWAYDDGOPHFIS-JTQLQIEISA-N
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