4-Nitro-N-[4-[2-[4-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-2-Sulfo-Phenyl]Ethyl]-3-Sulfo-Phenyl]-2,1,3-Benzoxadiazol-7-Amine

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Properties Simple | Detailed

Formula C26H22N8O12S2
IUPAC Name 4-nitro-n-[4-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfo-phenyl]ethyl]-3-sulfo-phenyl]-2,1,3-benzoxadiazol-7-amine
Molecular Mass 702.629 g·mol−1
Heat of Formation -263.0 ± 16.7 kJ·mol−1
Dipole Moment 14.53 ± 1.08 D
Volume 693.4 Å 3
Surface Area 571.97 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -2.76 ± eV
Point Group Symmetry C1
InChIKey HQDWTUGRGVSPSY-UHFFFAOYSA-N
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