Geometry & MOs

Info

ID:	70319
PubChem CID:	48413183
Reduced:	FN2S2O4C15H19 (1)
Stoich.:	AB2C2D4E15F19 (1)
Weight, g/mol:	341.084555
ΔH_f, kcal/mol:	-128.54
Dipole, Da:	4.12
IP(EA), eV:	-9.01(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3-fluoro-2-nitrophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC#C)F

DOS

IR

Vibrations