Geometry & MOs

Info

ID:	413121
PubChem CID:	135086065
Reduced:	OSF3H15C20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	294.066778
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	7.38
IP(EA), eV:	-8.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4,4-trifluoro-3-(4-fluorophenyl)-1-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations