Geometry & MOs

Info

ID:	71512
PubChem CID:	48414979
Reduced:	ClSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-48.12
Dipole, Da:	3.01
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations