Geometry & MOs

Info

ID:	373836
PubChem CID:	131320529
Reduced:	N2O2C5H8 (1)
Stoich.:	A2B2C5D8 (1)
Weight, g/mol:	257.975358
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	5.29
IP(EA), eV:	-10.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-3-hydroxy-1-benzothiophen-6-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC(CNC(=O)C#N)O

DOS

IR

Vibrations