Geometry & MOs

Info

ID:	229394
PubChem CID:	87567543
Reduced:	S2F3O5C35H47 (1)
Stoich.:	A2B3C5D35E47 (1)
Weight, g/mol:	634.29398
ΔH_f, kcal/mol:	-349.17
Dipole, Da:	3.8
IP(EA), eV:	-8.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-bis(4-octoxyphenyl)phenyl] 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.S

DOS

IR

Vibrations