N,N'-Bis(2,4-Dinitrophenyl)-L-Cystine

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Properties Simple | Detailed

Formula C18H16N6O12S2
IUPAC Name carbon dioxide; n-[2-[2-(2,4-dinitroanilino)ethynyldisulfanyl]ethynyl]-2,4-dinitro-aniline
Molecular Mass 572.483 g·mol−1
Heat of Formation -579.6 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 600.42 Å 3
Surface Area 444.85 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2,4-dinitrophenyl)amino]-3-[(2r)-2-[(2,4-dinitrophenyl)amino]-3-hydroxy-3-keto-propyl]disulfanyl-propionic acid
  • (2r)-2-[(2,4-dinitrophenyl)amino]-3-[(2r)-2-[(2,4-dinitrophenyl)amino]-3-hydroxy-3-oxo-propyl]disulfanyl-propanoic acid
  • 3-[2-carboxy-2-(2,4-dinitro-phenylamino)-ethyldisulfanyl]-2-(2,4-dinitro-phenylamino)-propionic acid
InChIKey UMGXLEJJKAWCHT-KBPBESRZSA-N
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