Geometry & MOs

Info

ID:	202796
PubChem CID:	79728269
Reduced:	ClFSN2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	243.057468
ΔH_f, kcal/mol:	3.57
Dipole, Da:	3.33
IP(EA), eV:	-8.63(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-3-fluoropyridin-2-yl)amino]piperidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)SC2=C(C=C(C=N2)Cl)F

DOS

IR

Vibrations