Geometry & MOs

Info

ID:	373342
PubChem CID:	131313489
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-74.89
Dipole, Da:	1.07
IP(EA), eV:	-9.62(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-7-methoxy-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)SC1=CCC2=NC(=O)NC2=C1

DOS

IR

Vibrations