Geometry & MOs

Info

ID:	8355
PubChem CID:	76734
Reduced:	Na2O2H4Cl6C13 (1)
Stoich.:	A2B2C4D6E13 (1)
Weight, g/mol:	449.810834
ΔH_f, kcal/mol:	-219.53
Dipole, Da:	3.97
IP(EA), eV:	-8.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;3,4,6-trichloro-2-[(2,3,5-trichloro-6-oxidophenyl)methyl]phenolate

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)[O-])[O-])Cl.[Na+].[Na+]

DOS

IR

Vibrations