Geometry & MOs

Info

ID:

384971

PubChem CID:

134978059

Reduced:

SP2N5O9C10H12 (1)

Stoich.:

AB2C5D9E10F12 (1)

Weight, g/mol:

509.912277

ΔHf, kcal/mol:

-315.27

Dipole, Da:

4.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.944963

Charge, e:

 -4

Chem-info

IUPAC name:

[[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)([O-])OP(=S)([O-])[O-])O

DOS

IR

Vibrations