Geometry & MOs

Info

ID:	373194
PubChem CID:	131311342
Reduced:	BrSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	299.98196
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	1.41
IP(EA), eV:	-8.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-4-ethoxy-7-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(S1)C=C(C=C2)OC)CBr

DOS

IR

Vibrations