Geometry & MOs

Info

ID:	9849
PubChem CID:	93895
Reduced:	ClN2I3O3H10C12 (1)
Stoich.:	AB2C3D3E10F12 (1)
Weight, g/mol:	645.7514
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	4.8
IP(EA), eV:	-9.85(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl chloride

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)Cl)I)C(=O)NC)I

DOS

IR

Vibrations