Geometry & MOs

Info

ID:

382824

PubChem CID:

134974193

Reduced:

SSnN3O4C31H37 (1)

Stoich.:

ABC3D4E31F37 (1)

Weight, g/mol:

350.188195

ΔHf, kcal/mol:

-84.25

Dipole, Da:

4.06

IP(EA), eV:

 -9.14(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,1'R,8R,8'R,11S)-7,7-dimethylspiro[12-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-11,7'-12-oxatricyclo[6.3.1.02,6]dodeca-2(6),3,9-triene]-11'-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CCN4C(=O)C5=C(C4=O)N=C(C=C5)[Sn](C)(C)C

DOS

IR

Vibrations