Geometry & MOs

Info

ID:	156960
PubChem CID:	56394974
Reduced:	SF2N2O5H20C22 (1)
Stoich.:	AB2C2D5E20F22 (1)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	-215.93
Dipole, Da:	4.67
IP(EA), eV:	-8.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-(methylsulfonylmethyl)-1-benzofuran-2-carbonyl]piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C(=CC=C3)F)F)OC

DOS

IR

Vibrations