Geometry & MOs

Info

ID:	229156
PubChem CID:	87567076
Reduced:	BrMgF3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	318.072594
ΔH_f, kcal/mol:	-183.51
Dipole, Da:	5.61
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-fluoro-3-methylphenyl)-3-(4-methylsulfonylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

[CH2-]CC1=CC=C(C=C1)C(F)(F)F.[Mg+2].[Br-]

DOS

IR

Vibrations