Geometry & MOs

Info

ID:	70318
PubChem CID:	48413179
Reduced:	FSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	374.077028
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	3.12
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations