Geometry & MOs

Info

ID:	50310
PubChem CID:	12012827
Reduced:	PSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	524.046906
ΔH_f, kcal/mol:	-79.91
Dipole, Da:	4.34
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

disodium;5-[(2,4-dimethyl-5-oxoniosulfonylphenyl)-phenylphosphanyl]-2,4-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1P(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)O)C

DOS

IR

Vibrations