Geometry & MOs

Info

ID:	380491
PubChem CID:	134970952
Reduced:	Cl2N4O5C15H16 (1)
Stoich.:	A2B4C5D15E16 (1)
Weight, g/mol:	350.122634
ΔH_f, kcal/mol:	-166.97
Dipole, Da:	4.89
IP(EA), eV:	-9.8(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-4-acetyloxy-2,4-dimethyl-5-(6-oxo-3H-purin-9-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@@H](O1)N2C=NC3=C2N=C(N=C3Cl)Cl)(C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations