Geometry & MOs

Info

ID:	373952
PubChem CID:	131321658
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	4.1
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-methoxy-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC2=C1SC=C2C(=O)OC)Br

DOS

IR

Vibrations