Geometry & MOs

Info

ID:	372816
PubChem CID:	131305252
Reduced:	BrNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	280.951
ΔH_f, kcal/mol:	33.04
Dipole, Da:	3.71
IP(EA), eV:	-9.1(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-ethoxy-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C2C(=CC(=C1)C#N)SC=C2Br

DOS

IR

Vibrations