Geometry & MOs

Info

ID:	379666
PubChem CID:	134455427
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	432.138675
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	5.98
IP(EA), eV:	-8.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(methoxymethyl)-2-methylsulfanylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=CC(=N2)NC(C3CC3)O)NC4=C(C=C(C=C4)C5CC5)S(=O)(=O)C

DOS

IR

Vibrations