Geometry & MOs

Info

ID:	195554
PubChem CID:	78699958
Reduced:	SO3F5H9C16 (1)
Stoich.:	AB3C5D9E16 (1)
Weight, g/mol:	330.09258
ΔH_f, kcal/mol:	-269.27
Dipole, Da:	5.52
IP(EA), eV:	-10.5(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations