Geometry & MOs

Info

ID:

85356

PubChem CID:

49874279

Reduced:

O3S3Fe4H11 (1)

Stoich.:

A3B3C4D11 (1)

Weight, g/mol:

308.14118

ΔHf, kcal/mol:

207.09

Dipole, Da:

5.18

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 8.338897

Charge, e:

0

Chem-info

IUPAC name:

N,N'-dimethylethane-1,2-diimine;iron

Drug info:

PubChemData

Smile

O.O.O.[SH3+].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe]

DOS

IR

Vibrations