Geometry & MOs

Info

ID:	84259
PubChem CID:	49865144
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	297.123718
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	5.79
IP(EA), eV:	-8.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-3,4-dimethyloxolan-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations