Formula |
C22H19NO7 |
IUPAC Name |
(2s)-2-(2-carboxyethyl)-6-[(e)-[(2e)-2-hydroxyiminoindan-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Molecular Mass |
409.389 g·mol−1 |
Heat of Formation |
-846.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.11 ± 1.08 D |
Volume |
457.7 Å 3 |
Surface Area |
400.39 Å 2 |
HOMO Energy |
-9.00 ± 0.55 eV |
LUMO Energy |
2.20 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ATOXVCQZZLATRT-WKXZFCCTSA-N |
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Elements |
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