Geometry & MOs

Info

ID:	394263
PubChem CID:	135022653
Reduced:	S3O4H18C32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	509.162708
ΔH_f, kcal/mol:	5.73
Dipole, Da:	0.83
IP(EA), eV:	-8.64(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(S3)C4=C5C=CC=CC5=C(S4)C6=CC=C(S6)C7C8=CC=CC=C8C(=O)O7

DOS

IR

Vibrations