Geometry & MOs

Info

ID:	59108
PubChem CID:	24770989
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	520.198966
ΔH_f, kcal/mol:	-9.61
Dipole, Da:	2.73
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-4-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC(=CN=C2)OCC3(CC3)CN

DOS

IR

Vibrations