Geometry & MOs

Info

ID:	84526
PubChem CID:	49867299
Reduced:	NSO3C5H11 (1)
Stoich.:	ABC3D5E11 (1)
Weight, g/mol:	322.080412
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	4.91
IP(EA), eV:	-9.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CSCO)[C@@H](C(=O)O)N

DOS

IR

Vibrations