Geometry & MOs

Info

ID:	10028
PubChem CID:	96503
Reduced:	N5O7C16H19 (1)
Stoich.:	A5B7C16D19 (1)
Weight, g/mol:	393.128448
ΔH_f, kcal/mol:	-245.16
Dipole, Da:	4.03
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations