Geometry & MOs

Info

ID:	399788
PubChem CID:	135042682
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	246.051464
ΔH_f, kcal/mol:	5.59
Dipole, Da:	2.87
IP(EA), eV:	-9.27(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C[C@@](C)(/C=C/C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations