Geometry & MOs

Info

ID:	373951
PubChem CID:	131321652
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	6.11
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-7-methoxy-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC(=C2S1)CC(=O)O)Br

DOS

IR

Vibrations