Geometry & MOs

Info

ID:	369253
PubChem CID:	127331625
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	2.93
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=NN(C(=O)C=C2)C)C

DOS

IR

Vibrations