Geometry & MOs

Info

ID:	70357
PubChem CID:	48413237
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	380.057311
ΔH_f, kcal/mol:	37.18
Dipole, Da:	4.99
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations