Geometry & MOs

Info

ID:	229395
PubChem CID:	87567544
Reduced:	SF3O5C35H45 (1)
Stoich.:	AB3C5D35E45 (1)
Weight, g/mol:	668.281701
ΔH_f, kcal/mol:	-347.72
Dipole, Da:	3.92
IP(EA), eV:	-8.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-bis(4-octoxyphenyl)phenyl]sulfanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=C(C(=CC=C2)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)OCCCCCCCC

DOS

IR

Vibrations