Geometry & MOs

Info

ID:	244090
PubChem CID:	99313637
Reduced:	ClN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	3.98
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(benzenesulfonyl)-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CNC2=O)OCC

DOS

IR

Vibrations