(2E)-7-(2-Amino-2-Carboxyethyl)-2-[7-(2-Amino-2-Carboxyethyl)-5-Hydroxy-3-Oxo-3,4-Dihydro-2H-1,4-Benzothiazin-2-Ylidene]-5-Hydroxy-2H-1,4-Benzothiazine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C23H21N4O9S2+
IUPAC Name (2e)-7-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-4h-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid
Molecular Mass 561.564 g·mol−1
Heat of Formation -1260.5 ± 16.7 kJ·mol−1
Dipole Moment 1.12 ± 1.08 D
Volume 589.09 Å 3
Surface Area 488.57 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
InChIKey IVHWGSWUQQWMOD-ZQZPBRAUSA-N
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