Geometry & MOs

Info

ID:	394264
PubChem CID:	135022654
Reduced:	NO4H23C34 (1)
Stoich.:	AB4C23D34 (1)
Weight, g/mol:	641.183838
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	10.55
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)C6C7=CC=CC=C7C(=O)O6

DOS

IR

Vibrations