Geometry & MOs

Info

ID:

315675

PubChem CID:

126628450

Reduced:

SF3O3C7H8 (2)

Stoich.:

AB3C3D7E8 (2)

Weight, g/mol:

559.128658

ΔHf, kcal/mol:

-527.48

Dipole, Da:

3.58

IP(EA), eV:

 -9.29(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-2-[[5-(3-chlorophenyl)-2-oxo-3-propan-2-yl-1,3,2lambda5-oxazaphospholidin-2-yl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C(C=C1)OS(=O)(=O)C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)C

DOS

IR

Vibrations