Geometry & MOs

Info

ID:	342785
PubChem CID:	127265948
Reduced:	SO2F3N4C13H15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	268.043712
ΔH_f, kcal/mol:	-173.22
Dipole, Da:	8.21
IP(EA), eV:	-9.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)NCCC2=NC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations