Geometry & MOs

Info

ID:	339010
PubChem CID:	127260021
Reduced:	SO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	353.998521
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	5.74
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,5,6-tetrafluoro-4-(fluoromethoxy)phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

COC1CCC(CC1)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations