Geometry & MOs

Info

ID:	184873
PubChem CID:	77222238
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	1.83
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methylmorpholin-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)NC(=O)N)C(=O)NC2CCCCNC2

DOS

IR

Vibrations