Geometry & MOs

Info

ID:

322505

PubChem CID:

126670296

Reduced:

IS2O6C18H25 (1)

Stoich.:

AB2C6D18E25 (1)

Weight, g/mol:

495.192688

ΔHf, kcal/mol:

-215.08

Dipole, Da:

10.31

IP(EA), eV:

 -8.98(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl (5S)-5-[[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-3-methoxy-5-prop-2-enyloxolan-2-yl]methyl]-2-oxo-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CO[C@H]1[C@H](O[C@H]([C@@H]1CS(=O)(=O)C2=CC=CC=C2)CC=C)C[C@@H](COSI)O

DOS

IR

Vibrations