Geometry & MOs

Info

ID:

127158

PubChem CID:

50993128

Reduced:

OSnN2C26H45 (1)

Stoich.:

ABC2D26E45 (1)

Weight, g/mol:

336.157288

ΔHf, kcal/mol:

-24.14

Dipole, Da:

1.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769232

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,8S)-10,10-dimethoxy-5-methyl-4,9-dioxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoic acid

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCCCC[N+]1=CN(C=C1)CC)C2=CC=C(C=C2)OC

DOS

IR

Vibrations