Geometry & MOs

Info

ID:	1750
PubChem CID:	4984
Reduced:	O5N7C22H29 (1)
Stoich.:	A5B7C22D29 (1)
Weight, g/mol:	471.223017
ΔH_f, kcal/mol:	-128.97
Dipole, Da:	3.54
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

DOS

IR

Vibrations