Geometry & MOs

Info

ID:

6389

PubChem CID:

68388

Reduced:

FeO6C54H105 (1)

Stoich.:

AB6C54D105 (1)

Weight, g/mol:

905.726052

ΔHf, kcal/mol:

-259.59

Dipole, Da:

3.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.744565

Charge, e:

 0

Chem-info

IUPAC name:

iron(3+);octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+3]

DOS

IR

Vibrations