Geometry & MOs

Info

ID:	394258
PubChem CID:	135022648
Reduced:	NO6H33C36 (1)
Stoich.:	AB6C33D36 (1)
Weight, g/mol:	569.183838
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	9.37
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-3-[4-(N-[4-(3-oxo-1H-2-benzofuran-1-yl)phenyl]anilino)phenyl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CCCCCCN1C2=C(C=C(C=C2)C3C4=CC=CC=C4C(=O)O3)C5=C1C=CC(=C5)C6C7=CC(=C(C=C7C(=O)O6)OC)OC

DOS

IR

Vibrations