Geometry & MOs

Info

ID:	135985
PubChem CID:	51963569
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	358.123025
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	6.98
IP(EA), eV:	-9.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)C(=O)NC

DOS

IR

Vibrations