Geometry & MOs

Info

ID:

233563

PubChem CID:

91145460

Reduced:

SO3N4C15H20 (1)

Stoich.:

AB3C4D15E20 (1)

Weight, g/mol:

551.200254

ΔHf, kcal/mol:

-31.08

Dipole, Da:

7.86

IP(EA), eV:

 -9.35(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R,5S)-6-cyano-6-[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1OC)[C@@H](C)NS(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations