Geometry & MOs

Info

ID:	395121
PubChem CID:	135024690
Reduced:	BrOSH13C21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	420.118401
ΔH_f, kcal/mol:	60.33
Dipole, Da:	1.58
IP(EA), eV:	-8.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)/C=C/C4=CC=C(C=C4)Br

DOS

IR

Vibrations