Geometry & MOs

Info

ID:

38222

PubChem CID:

8028161

Reduced:

SN3O4C11H12 (1)

Stoich.:

AB3C4D11E12 (1)

Weight, g/mol:

397.134779

ΔHf, kcal/mol:

-69.14

Dipole, Da:

7.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.191590

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(1'R,4'S)-spiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]-2-yl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC(=O)[O-])/C=N\NC(=S)N

DOS

IR

Vibrations