Geometry & MOs

Info

ID:	1327
PubChem CID:	4172
Reduced:	I3N3O8C18H22 (1)
Stoich.:	A3B3C8D18E22 (1)
Weight, g/mol:	788.8541
ΔH_f, kcal/mol:	-268.94
Dipole, Da:	6.87
IP(EA), eV:	-8.48(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(C=O)C(C(C(CO)O)O)O)I)N(C)C(=O)C)I

DOS

IR

Vibrations