Geometry & MOs

Info

ID:	56710
PubChem CID:	22388568
Reduced:	Cl2S2O3N4H20C27 (1)
Stoich.:	A2B2C3D4E20F27 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	13.32
Dipole, Da:	5.28
IP(EA), eV:	-9.13(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-4-(cyclopentylmethoxy)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=C(C=C(C=C3)C4=CC=C(S4)Cl)Cl)N=C(C=C2)C(=O)NS(=O)(=O)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations