Geometry & MOs

Info

ID:	22254
PubChem CID:	596422
Reduced:	SO2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	3.7
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC2=C(N1)C=CC=N2

DOS

IR

Vibrations