Geometry & MOs

Info

ID:	71245
PubChem CID:	48414513
Reduced:	S2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	409.149384
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	4.38
IP(EA), eV:	-8.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations