(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 C23H14N4O9S2
IUPAC Name (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
Molecular Mass 554.509 g·mol−1
Heat of Formation 1037.9 ± 16.7 kJ·mol−1
Dipole Moment 10.88 ± 1.08 D
Volume 536.97 Å 3
Surface Area 483.48 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -3.46 ± eV
Point Group Symmetry C1
InChIKey IVHWGSWUQQWMOD-YUOFRHBBSA-N
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