Geometry & MOs

Info

ID:	85363
PubChem CID:	49874341
Reduced:	FeN4O5C34H36 (1)
Stoich.:	AB4C5D34E36 (1)
Weight, g/mol:	814.38164
ΔH_f, kcal/mol:	1.19
Dipole, Da:	8.19
IP(EA), eV:	-6.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

hexasulfanium;azanide;iron;iron(2+);molybdenum;sulfanide

Drug info:

PubChemData

Smile

CCC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C.O.[Fe+2]

DOS

IR

Vibrations