Geometry & MOs

Info

ID:	436175
PubChem CID:	135194324
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	353.125467
ΔH_f, kcal/mol:	-192.02
Dipole, Da:	3.39
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CCOC(=O)CC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations