Formula |
C23H20N4O9S2 |
IUPAC Name |
(2e)-8-(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 |
560.556 g·mol−1 |
Heat of Formation |
-1306.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.91 ± 1.08 D |
Volume |
574.8 Å 3 |
Surface Area |
447.45 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-1.64 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XHNIELAPHCENGK-ZQZPBRAUSA-N |
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Elements |
H
S
C
O
N
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