Formula |
C28H28N2O6 |
IUPAC Name |
5-[[allyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]methyl]-1,3-benzodioxole-4-carboxylic acid |
Molecular Mass |
488.532 g·mol−1 |
Heat of Formation |
-638.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.47 ± 1.08 D |
Volume |
578.9 Å 3 |
Surface Area |
415.56 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
2.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WRLIFDLBMCTVHJ-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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