Geometry & MOs

Info

ID:	85355
PubChem CID:	49874271
Reduced:	FeN4O4H32C35 (1)
Stoich.:	AB4C4D32E35 (1)
Weight, g/mol:	378.72678
ΔH_f, kcal/mol:	153.82
Dipole, Da:	5.88
IP(EA), eV:	-7.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

sulfanium;iron;sulfanide;trihydrate

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C=C)C)CCC(=O)O)CCC(=O)O.[Fe+2]

DOS

IR

Vibrations