Geometry & MOs

Info

ID:	84623
PubChem CID:	49868703
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	559.254317
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	1.21
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-N-[(2R)-1-(2-methoxyethylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C2=NC(=NC=C2)NC3CCCCC3

DOS

IR

Vibrations