Geometry & MOs

Info

ID:	50311
PubChem CID:	12012828
Reduced:	PNa2S2O6C22H23 (1)
Stoich.:	AB2C2D6E22F23 (1)
Weight, g/mol:	478.067368
ΔH_f, kcal/mol:	-370.09
Dipole, Da:	13.69
IP(EA), eV:	-7.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethyl-5-sulfophenyl)-phenylphosphanyl]-2,4-dimethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1P(C2=CC=CC=C2)C3=CC(=C(C=C3C)C)S(=O)(=O)[O-])S(=O)(=O)[OH2+])C.[Na+].[Na+]

DOS

IR

Vibrations