Geometry & MOs

Info

ID:	384898
PubChem CID:	134977896
Reduced:	P2N5C10O10H13 (1)
Stoich.:	A2B5C10D10E13 (1)
Weight, g/mol:	401.002532
ΔH_f, kcal/mol:	-374.75
Dipole, Da:	4.68
IP(EA), eV:	-9.26(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])[O-])O)O)N

DOS

IR

Vibrations