Geometry & MOs

Info

ID:	384396
PubChem CID:	134976910
Reduced:	PS2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	487.098036
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	7.61
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,4-dimethoxy-1,4-dioxo-3-sulfobutan-2-yl)-triphenylphosphanium

Drug info:

PubChemData

Smile

CS(=O)(=O)OP(CC1=CC=CS1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations