[[2-Anilino-1-(2-Methoxy-4-Nitro-5-Sulfo-Anilino)Azanidyl-2-Oxo-Ethylidene]Amino]-(2-Methoxy-4-Nitro-5-Sulfo-Phenyl)Azanide

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Properties Simple | Detailed

Formula C22H25N7O13S2
IUPAC Name [[2-anilino-1-(2-methoxy-4-nitro-5-sulfo-anilino)azanidyl-2-oxo-ethylidene]amino]-(2-methoxy-4-nitro-5-sulfo-phenyl)azanide
Molecular Mass 659.603 g·mol−1
Heat of Formation -862.3 ± 16.7 kJ·mol−1
Dipole Moment 12.79 ± 1.08 D
Volume 648.34 Å 3
Surface Area 557.47 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -2.41 ± eV
Point Group Symmetry C1
InChIKey MZJWHRBYGOFTPY-JIFSVQRTSA-N
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