Geometry & MOs

Info

ID:

1064

PubChem CID:

3742

Reduced:

N5I6O8H21C24 (1)

Stoich.:

A5B6C8D21E24 (1)

Weight, g/mol:

1268.5658

ΔHf, kcal/mol:

-168.8

Dipole, Da:

8.58

IP(EA), eV:

 -9.87(-2.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I

DOS

IR

Vibrations