N-{2-[(2-Acetamidoethyl)Disulfanyl]Ethyl}-4-(Oxoacetyl)Benzamide

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Properties Simple | Detailed

Formula C15H18N2O4S2
IUPAC Name n-[2-(2-acetamidoethyldisulfanyl)ethyl]-4-oxaldehydoyl-benzamide
Molecular Mass 354.444 g·mol−1
Heat of Formation -533.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 411.81 Å 3
Surface Area 371.29 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • benzamide, n-(2-((2-(acetylamino)ethyl)dithio)ethyl)-4-(oxoacetyl)-
  • n-[2-(2-acetamidoethyldisulfanyl)ethyl]-4-glyoxyloyl-benzamide
  • n-[2-(2-acetamidoethyldisulfanyl)ethyl]-4-oxaldehydoyl-benzamide
  • n-acetyl-n'-(4-glyoxylylbenzoyl)cystamine
  • n-acetyl-n'-(p-glyoxylylbenzoyl)cystamine
  • nanpgbcystamine
CAS Number(s)
  • 73097-03-7
InChIKey NWCSKZDSXIDTDK-UHFFFAOYSA-N
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