Geometry & MOs

Info

ID:	280533
PubChem CID:	103849770
Reduced:	F2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	285.083493
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	3.26
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylsulfonylethoxy)-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)OCC(C2=CC=CC=C2F)O

DOS

IR

Vibrations