Geometry & MOs

Info

ID:	37853
PubChem CID:	8025115
Reduced:	ClSO2N4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	415.180387
ΔH_f, kcal/mol:	53.95
Dipole, Da:	6.04
IP(EA), eV:	-9.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-1-ium-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)NC3=CC=NN3CC4=CC=CO4

DOS

IR

Vibrations