Geometry & MOs

Info

ID:	180672
PubChem CID:	76667538
Reduced:	ClPdP2O3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	571.05623
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	14.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776805
Charge, e:	0

Chem-info

IUPAC name:

carbanide;2,6-dimethylpyridine;diphenyl-(2-sulfophenyl)phosphanium;palladium

Drug info:

PubChemData

Smile

[CH3-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3P(=O)(O)O.Cl[Pd+]

DOS

IR

Vibrations