Geometry & MOs

Info

ID:	157418
PubChem CID:	56424092
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	416.097683
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	3.0
IP(EA), eV:	-8.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(6-methylsulfanylpyridin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)SC

DOS

IR

Vibrations