Geometry & MOs

Info

ID:

442943

PubChem CID:

135257010

Reduced:

SP2N3O13C21H31 (1)

Stoich.:

AB2C3D13E21F31 (1)

Weight, g/mol:

531.120228

ΔHf, kcal/mol:

-640.78

Dipole, Da:

5.37

IP(EA), eV:

 -8.75(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

hydroxy-[[(3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-[(2,4,6-trimethoxyphenyl)methylsulfanylmethoxy]oxolan-2-yl]methoxy]-oxophosphanium

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)CSCO[C@H]2CC(O[C@@H]2COP(=O)(O)OP(=O)(O)OC)N3C=CC(=NC3=O)N)OC

DOS

IR

Vibrations