2,2'-{1,2-Ethanediylbis[Imino(2R)-1,2-Propanediyl]}Bis(5-Nitro-1H-Benzo[De]Isoquinoline-1,3(2H)-Dione)

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Properties Simple | Detailed

Formula C32H28N6O8
IUPAC Name 2-[(1r)-1-methyl-2-[2-[[(2r)-2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione
Molecular Mass 624.600 g·mol−1
Heat of Formation -357.7 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 691.31 Å 3
Surface Area 592.71 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry C2
Synonyms
  • bisnafide
CAS Number(s)
  • 144849-63-8
InChIKey PXBZKHOQHTVCSQ-QZTJIDSGSA-N
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