Geometry & MOs

Info

ID:	379667
PubChem CID:	134455442
Reduced:	ClSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	464.128504
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	2.07
IP(EA), eV:	-8.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCCCO3)N=C(C=C2NC4=C(C=C(C=C4)COC)SC)Cl

DOS

IR

Vibrations