Geometry & MOs

Info

ID:	297863
PubChem CID:	117634709
Reduced:	O6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	582.195162
ΔH_f, kcal/mol:	-282.97
Dipole, Da:	4.8
IP(EA), eV:	-10.06(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-ethyloxolan-3-yl] [(2R,3R,5R)-3-ethoxy-5-(2-methyl-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CCC2(C1)OCC3C(O2)C(C(C(O3)O)O)O

DOS

IR

Vibrations