Formula |
C25H24N4O5 |
IUPAC Name |
6-hydroxy-3-[(4r)-1-[4-(1-naphthylamino)-4-oxo-butyl]triazolidin-4-yl]benzofuran-5-carboxylic acid |
Molecular Mass |
460.482 g·mol−1 |
Heat of Formation |
-408.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.17 ± 1.08 D |
Volume |
521.41 Å 3 |
Surface Area |
462.73 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
1.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KWXBSQWOCREJEL-NRFANRHFSA-N |
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Elements |
H
C
O
N
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