Geometry & MOs

Info

ID:	169058
PubChem CID:	75059462
Reduced:	N2Na3S3H11O11C20 (1)
Stoich.:	A2B3C3D11E11F20 (1)
Weight, g/mol:	355.94343
ΔH_f, kcal/mol:	-485.61
Dipole, Da:	35.34
IP(EA), eV:	-8.85(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;cyclopenta-1,3-diene;iron(2+);methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations