Geometry & MOs

Info

ID:	179970
PubChem CID:	76559842
Reduced:	SN2F3O4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	-242.56
Dipole, Da:	7.86
IP(EA), eV:	-8.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-pyridin-2-ylethylsulfanyl)piperazin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N2C=CN=C(C2=O)SC3=CC=C(C=C3)C(F)(F)F)OC4CCCC4O

DOS

IR

Vibrations