Geometry & MOs

Info

ID:	195553
PubChem CID:	78699957
Reduced:	SO3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	376.019256
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	5.56
IP(EA), eV:	-9.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations