Geometry & MOs

Info

ID:	341570
PubChem CID:	127264263
Reduced:	PdC4N5O7H12 (1)
Stoich.:	AB4C5D7E12 (1)
Weight, g/mol:	724.07685
ΔH_f, kcal/mol:	-12.32
Dipole, Da:	6.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.961563
Charge, e:	2

Chem-info

IUPAC name:

benzenethiolate;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;palladium(2+)

Drug info:

PubChemData

Smile

C(C[N-]CC[NH-])[NH-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Pd+2]

DOS

IR

Vibrations