Geometry & MOs

Info

ID:	17801
PubChem CID:	520260
Reduced:	FeSO3C6H7 (2)
Stoich.:	ABC3D6E7 (2)
Weight, g/mol:	429.893052
ΔH_f, kcal/mol:	48.47
Dipole, Da:	7.27
IP(EA), eV:	-7.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;iron(2+);propane-2-thiolate

Drug info:

PubChemData

Smile

CC(C)[S-].CC(C)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe+2]

DOS

IR

Vibrations