Geometry & MOs

Info

ID:	395120
PubChem CID:	135024688
Reduced:	ClHOC2 (2)
Stoich.:	ABCD2 (2)
Weight, g/mol:	391.98705
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	0.89
IP(EA), eV:	-9.31(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromophenyl)-1-dibenzothiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=C(C(=C(O1)O)Cl)Cl

DOS

IR

Vibrations