Formula |
C23H20N4O9S2 |
IUPAC Name |
(2e)-7-[(2r)-2-amino-2-carboxy-ethyl]-2-[7-[(2s)-2-amino-2-carboxy-ethyl]-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 |
1063.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.64 ± 1.08 D |
Volume |
556.7 Å 3 |
Surface Area |
505.52 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-3.81 ± eV |
Point Group Symmetry |
C1
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InChIKey |
IVHWGSWUQQWMOD-YUOFRHBBSA-N |
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Links |
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DOI |
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Elements |
S
C
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