Geometry & MOs

Info

ID:	373343
PubChem CID:	131313504
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-83.75
Dipole, Da:	4.22
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-2-methoxy-1-benzothiophen-6-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C2=C1SC=C2)CC(=O)O)Br

DOS

IR

Vibrations