Geometry & MOs

Info

ID:	363663
PubChem CID:	127312369
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-76.51
Dipole, Da:	8.65
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[(2-piperidin-1-ylpyridin-4-yl)methyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C(=O)NC2=CC(=CC=C2)N3C=CN=C3

DOS

IR

Vibrations