Geometry & MOs

Info

ID:	374254
PubChem CID:	131325865
Reduced:	NO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	319.89096
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	3.71
IP(EA), eV:	-9.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-chloro-1-benzothiophen-6-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2)C(C(=O)O)O

DOS

IR

Vibrations