Geometry & MOs

Info

ID:	71278
PubChem CID:	48414562
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	383.10704
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	6.46
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-3-chlorobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations