Geometry & MOs

Info

ID:	185547
PubChem CID:	77312207
Reduced:	ClF2N3O5C19H20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	560.285952
ΔH_f, kcal/mol:	-245.63
Dipole, Da:	7.9
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-aminopropylamino)-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5C(C4)OCCN5)F)OC(=O)O.Cl

DOS

IR

Vibrations