Geometry & MOs

Info

ID:	10424
PubChem CID:	101609
Reduced:	PN2C9O9H13 (1)
Stoich.:	AB2C9D9E13 (1)
Weight, g/mol:	324.035867
ΔH_f, kcal/mol:	-443.58
Dipole, Da:	5.08
IP(EA), eV:	-10.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O

DOS

IR

Vibrations