Geometry & MOs

Info

ID:	372815
PubChem CID:	131305234
Reduced:	BrNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	280.951
ΔH_f, kcal/mol:	35.47
Dipole, Da:	4.77
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C=C(S2)Br)C#N

DOS

IR

Vibrations