Geometry & MOs

Info

ID:	84484
PubChem CID:	49866767
Reduced:	CdOH3 (1)
Stoich.:	ABC3 (1)
Weight, g/mol:	325.047515
ΔH_f, kcal/mol:	11.97
Dipole, Da:	0.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753686
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

[OH3+].[Cd+2]

DOS

IR

Vibrations