Geometry & MOs

Info

ID:	70321
PubChem CID:	48413187
Reduced:	SN2F3O3C15H17 (1)
Stoich.:	AB2C3D3E15F17 (1)
Weight, g/mol:	356.086449
ΔH_f, kcal/mol:	-203.21
Dipole, Da:	4.38
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(4-methylsulfonylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F

DOS

IR

Vibrations