Geometry & MOs

Info

ID:	56696
PubChem CID:	22387990
Reduced:	ClS2O3N4H25C29 (1)
Stoich.:	AB2C3D4E25F29 (1)
Weight, g/mol:	367.02906
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	4.01
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=NC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)CSC5=CC=CC=C5)Cl)C

DOS

IR

Vibrations