Geometry & MOs

Info

ID:	200732
PubChem CID:	79434288
Reduced:	ClFOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	278.054357
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	1.69
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-4-ethylsulfonylbutan-2-yl)-4-fluorobenzene

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CC(CCl)C3=CC=C(C=C3)F

DOS

IR

Vibrations