Geometry & MOs

Info

ID:	125060
PubChem CID:	50908337
Reduced:	NO6C27H35 (1)
Stoich.:	AB6C27D35 (1)
Weight, g/mol:	434.039604
ΔH_f, kcal/mol:	-236.42
Dipole, Da:	8.43
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4-acetyloxy-5-(2,6-dichloropurin-9-yl)-2-[(1R)-1,2-dihydroxyethyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CCN2[C@@H]([C@@H](CC2=O)C(=O)OC)C3=CC(=C(C=C3)OC(C)C)OC

DOS

IR

Vibrations