(2S)-3-[[(2R)-2-Carboxy-2-(2,4-Dinitroanilino)Ethyl]Disulfanyl]-2-(2,4-Dinitroanilino)Propanoic Acid

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Formula C18H16N6O12S2
IUPAC Name (2s)-3-[[(2r)-2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid
Molecular Mass 572.483 g·mol−1
Heat of Formation -634.1 ± 16.7 kJ·mol−1
Dipole Moment 12.14 ± 1.08 D
Volume 589.4 Å 3
Surface Area 419.03 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
InChIKey XOIOJCQDQQPQIJ-OKILXGFUSA-N
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