Geometry & MOs

Info

ID:	394259
PubChem CID:	135022649
Reduced:	NO6H27C36 (1)
Stoich.:	AB6C27D36 (1)
Weight, g/mol:	490.054481
ΔH_f, kcal/mol:	-90.24
Dipole, Da:	9.72
IP(EA), eV:	-8.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-3-[5-[5-(3-oxo-1H-2-benzofuran-1-yl)thiophen-2-yl]thiophen-2-yl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(OC2=O)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6C7=CC=CC=C7C(=O)O6)OC

DOS

IR

Vibrations