Geometry & MOs

Info

ID:	148395
PubChem CID:	53788057
Reduced:	OC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	710.8224
ΔH_f, kcal/mol:	-131.94
Dipole, Da:	3.06
IP(EA), eV:	-10.17(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-2,4,6-triiodo-5-[(2S)-2-(methylcarbamoyl)pyrrolidine-1-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CCCC(C)C(C)(CO)O

DOS

IR

Vibrations