Geometry & MOs

Info

ID:

328505

PubChem CID:

126723669

Reduced:

ClO4N5C11H12 (1)

Stoich.:

AB4C5D11E12 (1)

Weight, g/mol:

545.94087

ΔHf, kcal/mol:

-75.92

Dipole, Da:

9.71

IP(EA), eV:

 -9.34(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3R,4R,5R)-4-chloro-3-(2,4-dioxopyrimidin-1-yl)-1-(fluoromethyl)-5-hydroxy-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](O[C@H]2[C@@]1(C2O)O)N3C=NC4=C3NC(=NC4=O)N)Cl

DOS

IR

Vibrations