Geometry & MOs

Info

ID:	14857
PubChem CID:	422687
Reduced:	SF3O4H5C7 (1)
Stoich.:	AB3C4D5E7 (1)
Weight, g/mol:	241.986064
ΔH_f, kcal/mol:	-311.59
Dipole, Da:	1.91
IP(EA), eV:	-10.2(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(trifluoromethyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)O)S(=O)(=O)O

DOS

IR

Vibrations