Geometry & MOs

Info

ID:	195555
PubChem CID:	78699959
Reduced:	SO4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	302.06128
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	4.28
IP(EA), eV:	-9.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations