Geometry & MOs

Info

ID:	375163
PubChem CID:	131472735
Reduced:	O3N4C9H10 (1)
Stoich.:	A3B4C9D10 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-56.12
Dipole, Da:	5.05
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(bromomethyl)-3-hydroxy-1-benzothiophen-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1)C2=NC=C(N2)C(=O)OC

DOS

IR

Vibrations