Geometry & MOs

Info

ID:

222901

PubChem CID:

85332986

Reduced:

NO5C37H55 (1)

Stoich.:

AB5C37D55 (1)

Weight, g/mol:

596.159094

ΔHf, kcal/mol:

-222.73

Dipole, Da:

4.53

IP(EA), eV:

 -8.58(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N'-(1-oxo-2,3-dihydroisoindol-4-yl)propanediamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCC1=CN=C(O1)C2(CC2)C(CCCC3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)OC(=O)C(C)C

DOS

IR

Vibrations