Geometry & MOs

Info

ID:	147361
PubChem CID:	53787017
Reduced:	NI3O4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	399.139013
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	6.59
IP(EA), eV:	-9.89(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5R)-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)O)I)CO)I

DOS

IR

Vibrations