Geometry & MOs

Info

ID:	205125
PubChem CID:	80058948
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	230.041294
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	5.67
IP(EA), eV:	-9.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)sulfonylbutan-2-one

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)OCC2=CN=CC=C2)O

DOS

IR

Vibrations