Geometry & MOs

Info

ID:	50312
PubChem CID:	12012829
Reduced:	PS2O6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	654.016966
ΔH_f, kcal/mol:	-223.48
Dipole, Da:	3.35
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

trisodium;5-[(2,4-dimethyl-5-oxoniosulfonylphenyl)-(2,4-dimethyl-5-sulfonatophenyl)phosphanyl]-2,4-dimethylbenzenesulfonate

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)O)C

DOS

IR

Vibrations