Geometry & MOs

Info

ID:	125061
PubChem CID:	50908411
Reduced:	Cl2N4O7C15H16 (1)
Stoich.:	A2B4C7D15E16 (1)
Weight, g/mol:	499.110605
ΔH_f, kcal/mol:	-244.21
Dipole, Da:	7.79
IP(EA), eV:	-10.03(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-acetyloxy-2-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]ethyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations