3-[(3-Chlorophenyl)Ethynyl]-2-{4-[2-(Cyclopropylamino)-2-Oxoethoxy]Phenyl}-6-Hydroxy-1-Benzofuran-5-Carboxylic Acid

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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 501.915 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