Formula |
C30H32N2O8 |
IUPAC Name |
(2s)-2-(2-carboxyethyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Molecular Mass |
548.584 g·mol−1 |
Heat of Formation |
-1160.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.83 ± 1.08 D |
Volume |
644.15 Å 3 |
Surface Area |
524.97 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
2.67 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HEOWDABLEHTSBE-QHCPKHFHSA-N |
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Elements |
H
C
O
N
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