Geometry & MOs

Info

ID:	196311
PubChem CID:	78810354
Reduced:	SN2F3O4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	396.095535
ΔH_f, kcal/mol:	-258.13
Dipole, Da:	1.81
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F)OC3=CC=C(C=C3)F

DOS

IR

Vibrations