Geometry & MOs

Info

ID:	70322
PubChem CID:	48413188
Reduced:	N2S2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.24
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations