Geometry & MOs

Info

ID:	379039
PubChem CID:	134352127
Reduced:	O2N3C29H33 (1)
Stoich.:	A2B3C29D33 (1)
Weight, g/mol:	819.6965
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	3.5
IP(EA), eV:	-8.2(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-diiodo-4-methylphenyl)-3-(4-hydroxy-3,5-diiodophenyl)-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC3=C(C=C2)NCCC3NC(=O)C4CC5=C(CCN4)C=C(C=C5C)O

DOS

IR

Vibrations