Geometry & MOs

Info

ID:

226611

PubChem CID:

87544407

Reduced:

SF3O4N5C28H30 (1)

Stoich.:

AB3C4D5E28F30 (1)

Weight, g/mol:

439.95231

ΔHf, kcal/mol:

-232.87

Dipole, Da:

4.32

IP(EA), eV:

 -8.65(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-4-[5-(2-bromo-5-chloro-4,6-dimethylpyridin-3-yl)-1,2,4-oxadiazol-3-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCOC[C@@H]3C)C(C)(C=S(=O)=O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations