Geometry & MOs

Info

ID:	85318
PubChem CID:	49873759
Reduced:	CoCl2N4O8C36H40 (1)
Stoich.:	AB2C4D8E36F40 (1)
Weight, g/mol:	1086.565761
ΔH_f, kcal/mol:	86.0
Dipole, Da:	48.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.326326
Charge, e:	0

Chem-info

IUPAC name:

(4-mercurio-2,3-dimethoxybutyl)mercury;octadecanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC\2=NC(=C(/C2=C(\OCC)/[O-])C)Cl)N=C1C)C.CCOC(=O)C1=C(C(=CC\2=NC(=C(/C2=C(\OCC)/[O-])C)Cl)N=C1C)C.[Co+2]

DOS

IR

Vibrations