Geometry & MOs

Info

ID:

218569

PubChem CID:

85089631

Reduced:

SF2N3O4H17C24 (1)

Stoich.:

AB2C3D4E17F24 (1)

Weight, g/mol:

481.120666

ΔHf, kcal/mol:

-145.55

Dipole, Da:

6.31

IP(EA), eV:

 -9.76(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-(acetyloxymethyl)-4-[(2-fluorophenyl)methylidene]-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(C(=O)C(C2=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations