Geometry & MOs

Info

ID:	70338
PubChem CID:	48413211
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	4.54
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CCC3

DOS

IR

Vibrations