Geometry & MOs

Info

ID:	406191
PubChem CID:	135076853
Reduced:	SO3F9H19C23 (1)
Stoich.:	AB3C9D19E23 (1)
Weight, g/mol:	446.097506
ΔH_f, kcal/mol:	-556.98
Dipole, Da:	3.3
IP(EA), eV:	-10.09(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,6-bis[(3-fluorophenyl)methyl]cyclohexen-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC=C(C(C1)(CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=C(C=C3)C(F)(F)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations