Geometry & MOs

Info

ID:	437575
PubChem CID:	135226620
Reduced:	BrOSH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	270.071451
ΔH_f, kcal/mol:	5.63
Dipole, Da:	1.98
IP(EA), eV:	-8.38(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-ethoxydibenzothiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SC3=C2C=C(C=C3)Br

DOS

IR

Vibrations