Geometry & MOs

Info

ID:	70320
PubChem CID:	48413184
Reduced:	FSN3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	362.091198
ΔH_f, kcal/mol:	-41.49
Dipole, Da:	6.9
IP(EA), eV:	-8.92(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2[N+](=O)[O-])F

DOS

IR

Vibrations