Geometry & MOs

Info

ID:	336987
PubChem CID:	127256552
Reduced:	ClH13C15 (2)
Stoich.:	AB13C15 (2)
Weight, g/mol:	878.9222
ΔH_f, kcal/mol:	86.76
Dipole, Da:	3.45
IP(EA), eV:	-9.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8R,9R,10R)-7,8,9,10,11-pentahydroxy-6-(methylamino)-2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]undecanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(C(C2Cl)Cl)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations