Geometry & MOs

Info

ID:	199734
PubChem CID:	79289041
Reduced:	ClN4H9C14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	266.047361
ΔH_f, kcal/mol:	114.34
Dipole, Da:	3.44
IP(EA), eV:	-9.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-amino-2-oxoethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)N2C(=NC3=C2N=CC=C3)CCl

DOS

IR

Vibrations