Geometry & MOs

Info

ID:	70352
PubChem CID:	48413229
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	314.090055
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	4.29
IP(EA), eV:	-8.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(3,5-difluorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations