Geometry & MOs

Info

ID:	214273
PubChem CID:	84974865
Reduced:	ClS2N3O3C11H16 (1)
Stoich.:	AB2C3D3E11F16 (1)
Weight, g/mol:	320.029422
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	2.1
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C(=O)N)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations