Geometry & MOs

Info

ID:	395122
PubChem CID:	135024691
Reduced:	SO2H20C28 (1)
Stoich.:	AB2C20D28 (1)
Weight, g/mol:	414.107836
ΔH_f, kcal/mol:	39.96
Dipole, Da:	5.26
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-dibenzothiophen-2-yl-3-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C54

DOS

IR

Vibrations