Geometry & MOs

Info

ID:	443202
PubChem CID:	135258092
Reduced:	SO5N7C20H27 (1)
Stoich.:	AB5C7D20E27 (1)
Weight, g/mol:	335.159354
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	7.02
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl pentanoate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OCC3CC(C(O3)N4C=NC5=C(N=CN=C54)N)O)NC(=O)N2

DOS

IR

Vibrations