Geometry & MOs

Info

ID:	359037
PubChem CID:	127297281
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	4.88
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(3-piperidin-1-ylsulfonylpyridin-2-yl)amino]ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCC(CC3)NC(=O)C4CC4

DOS

IR

Vibrations