Geometry & MOs

Info

ID:	1054
PubChem CID:	3723
Reduced:	N2I3O4H11C12 (1)
Stoich.:	A2B3C4D11E12 (1)
Weight, g/mol:	627.7853
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	4.19
IP(EA), eV:	-9.67(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I

DOS

IR

Vibrations