Geometry & MOs

Info

ID:	229397
PubChem CID:	87567546
Reduced:	O4C17H32 (1)
Stoich.:	A4B17C32 (1)
Weight, g/mol:	668.281701
ΔH_f, kcal/mol:	-241.46
Dipole, Da:	3.76
IP(EA), eV:	-10.76(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-octoxyphenyl)-phenylsulfanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCC(CC)CC(CCC(=O)O)(CC(CC)CC)C(=O)O

DOS

IR

Vibrations