N-Acetyl-S-(1,1-Dibromo-2,2-Difluoroethyl)-L-Cysteine

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Properties Simple | Detailed

Formula C7H9Br2F2NO3S
IUPAC Name (2r)-2-acetamido-3-(1,1-dibromo-2,2-difluoro-ethyl)sulfanyl-propanoic acid
Molecular Mass 385.021 g·mol−1
Heat of Formation -953.0 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 304.25 Å 3
Surface Area 260.77 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(1,1-dibromo-2,2-difluoro-ethyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-(1,1-dibromo-2,2-difluoroethyl)sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(1,1-dibromo-2,2-difluoro-ethyl)thio]propionic acid
  • (2r)-2-acetamido-3-[(1,1-dibromo-2,2-difluoroethyl)thio]propanoic acid
  • dbdfe-nac
  • l-cysteine, n-acetyl-s-(1,1-dibromo-2,2-difluoroethyl)-
  • n-acetyl-s-(1,1-dibromo-2,2-difluoroethyl)-1-cysteine
CAS Number(s)
  • 119018-03-0
InChIKey XVSSOUNHNGSSKQ-BYPYZUCNSA-N
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Elements C F H O N S Br