Geometry & MOs

Info

ID:	70316
PubChem CID:	48413175
Reduced:	ClSO2N4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	364.086862
ΔH_f, kcal/mol:	-0.76
Dipole, Da:	6.03
IP(EA), eV:	-8.63(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1S(=O)(=O)N2CCN(CC2)CCC#C)Cl)C

DOS

IR

Vibrations