Geometry & MOs

Info

ID:	70308
PubChem CID:	48413165
Reduced:	ClSN3O3C18H18 (1)
Stoich.:	ABC3D3E18F18 (1)
Weight, g/mol:	326.085577
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	5.91
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3-chloro-4-methylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations