Geometry & MOs

Info

ID:	280531
PubChem CID:	103849764
Reduced:	F2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	310.12388
ΔH_f, kcal/mol:	-139.78
Dipole, Da:	2.88
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-tert-butylsulfonylethoxy)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations