Geometry & MOs

Info

ID:	172096
PubChem CID:	75466180
Reduced:	N2I4O4H10C19 (1)
Stoich.:	A2B4C4D10E19 (1)
Weight, g/mol:	770.6761
ΔH_f, kcal/mol:	-6.12
Dipole, Da:	3.58
IP(EA), eV:	-8.55(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetraiodo-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N3C(=O)C4=C(C3=O)C(=C(C(=C4I)I)I)I

DOS

IR

Vibrations