Geometry & MOs

Info

ID:	244088
PubChem CID:	99313635
Reduced:	SN5O5C20H23 (1)
Stoich.:	AB5C5D20E23 (1)
Weight, g/mol:	403.120192
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	9.51
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylphenyl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC4=CC=CNC4=O

DOS

IR

Vibrations