Geometry & MOs

Info

ID:	167441
PubChem CID:	74829065
Reduced:	NiFe4S5H9 (1)
Stoich.:	AB4C5D9 (1)
Weight, g/mol:	505.987922
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	1.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 5.460316
Charge, e:	1

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(3-oxo-3-phosphonooxy-1,2,3lambda5-dioxaphosphiran-1-ium-1-yl)phosphinic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations