Geometry & MOs

Info

ID:	56650
PubChem CID:	17504720
Reduced:	SF3O5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	401.090864
ΔH_f, kcal/mol:	-324.84
Dipole, Da:	5.91
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2,2-trifluoro-1-(2-methylphenyl)ethyl] 4-(dimethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C(F)(F)F)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

DOS

IR

Vibrations