Geometry & MOs

Info

ID:	282708
PubChem CID:	103936813
Reduced:	BrSN3O4H8C10 (1)
Stoich.:	ABC3D4E8F10 (1)
Weight, g/mol:	207.064391
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	2.24
IP(EA), eV:	-9.59(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)NS(=O)(=O)C2=CN=CN2)Br

DOS

IR

Vibrations