Geometry & MOs

Info

ID:	380490
PubChem CID:	134970951
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	402.049775
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	3.15
IP(EA), eV:	-9.5(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-4-acetyloxy-5-(2,6-dichloropurin-9-yl)-2,4-dimethyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H](N(O1)C(=O)OC(C)(C)C)CO

DOS

IR

Vibrations