Geometry & MOs

Info

ID:	56651
PubChem CID:	17504721
Reduced:	NSF3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	372.064315
ΔH_f, kcal/mol:	-277.36
Dipole, Da:	6.47
IP(EA), eV:	-9.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(F)(F)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations