Geometry & MOs

Info

ID:	70325
PubChem CID:	48413191
Reduced:	S2N3O4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	330.060505
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	3.91
IP(EA), eV:	-8.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-chloro-4-fluorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations