Geometry & MOs

Info

ID:	135986
PubChem CID:	51963570
Reduced:	ClSO2N4C15H23 (1)
Stoich.:	ABC2D4E15F23 (1)
Weight, g/mol:	358.123025
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	2.92
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazine

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations