Geometry & MOs

Info

ID:	70362
PubChem CID:	48413244
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	346.030954
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	8.62
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3,5-dichlorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations