Formula |
C29H30N2O7 |
IUPAC Name |
(2s)-6-[[[2-(benzylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Molecular Mass |
518.558 g·mol−1 |
Heat of Formation |
-992.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.43 ± 1.08 D |
Volume |
612.65 Å 3 |
Surface Area |
495.81 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
-0.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RDFKANMJCXGBBA-QFIPXVFZSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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