Geometry & MOs

Info

ID:	59137
PubChem CID:	24771166
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	651.364536
ΔH_f, kcal/mol:	15.98
Dipole, Da:	2.73
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-4-[6-(2,2-diphenylethylamino)-2-[2-(1-propan-2-ylimidazol-4-yl)ethylamino]purin-9-yl]-2,3-dihydroxycyclopentyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C(=O)NCCCOC)C)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations