Formula |
C28H20ClNO6 |
IUPAC Name |
3-[2-(3-chlorophenyl)ethynyl]-2-[4-[2-(cyclopropylamino)-2-oxo-ethoxy]phenyl]-6-hydroxy-benzofuran-5-carboxylic acid |
Molecular Mass |
501.914 g·mol−1 |
Heat of Formation |
-404.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.59 ± 1.08 D |
Volume |
556.76 Å 3 |
Surface Area |
503.93 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
1.59 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IIURSEJMCKFEQG-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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