Geometry & MOs

Info

ID:	70342
PubChem CID:	48413215
Reduced:	SN2O2Cl3C14H15 (1)
Stoich.:	AB2C2D3E14F15 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	4.6
IP(EA), eV:	-8.82(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(2-fluoro-5-methylphenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations