Geometry & MOs

Info

ID:	68160
PubChem CID:	46507867
Reduced:	NSC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	476.151826
ΔH_f, kcal/mol:	57.11
Dipole, Da:	3.79
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylimidazo[4,5-b]pyridin-3-yl]benzoate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CN2CC3=CC=CC=C3NC2=S

DOS

IR

Vibrations