Geometry & MOs

Info

ID:	412880
PubChem CID:	135085814
Reduced:	NaSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	287.983477
ΔH_f, kcal/mol:	-164.91
Dipole, Da:	10.29
IP(EA), eV:	-9.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3,5-dimethylphenyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@@H](C#CC1=CC=CC=C1)OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations