Geometry & MOs

Info

ID:	373082
PubChem CID:	131309595
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	285.96631
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	1.5
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-ethoxy-7-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CC2=C1SC(=C2)O)Br

DOS

IR

Vibrations