S-{2-[(4-Azido-2-Nitrophenyl)Amino]Ethyl} 2-[(4-Azido-2-Nitrophenyl)Amino]Ethanesulfonothioate

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Properties Simple | Detailed

Formula C16H20N10O6S2
IUPAC Name 4-azido-n-[2-[2-[(4-azido-2-nitrophenyl)amino]ethylsulfanylsulfonyl]ethyl]-2-nitroaniline
Molecular Mass 512.523 g·mol−1
Heat of Formation 1029.3 ± 16.7 kJ·mol−1
Dipole Moment 9.69 ± 1.08 D
Volume 535.79 Å 3
Surface Area 480.96 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4-azido-2-nitro-phenyl)-[2-[2-[(4-azido-2-nitro-phenyl)amino]ethylthio]sulfonylethyl]amine
  • 4-azido-n-[2-[2-[(4-azido-2-nitro-phenyl)amino]ethylsulfanylsulfonyl]ethyl]-2-nitro-aniline
  • 4-azido-n-[2-[2-[(4-azido-2-nitrophenyl)amino]ethylthio]sulfonylethyl]-2-nitroaniline
  • di-n-(2-nitro-4-azidophenyl)cystamine-s,s-dioxide
  • dnco
CAS Number(s)
  • 64273-10-5
InChIKey BYMZEXPKRSJSSO-UHFFFAOYSA-N
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