Geometry & MOs

Info

ID:

168460

PubChem CID:

74971354

Reduced:

O14C41H54 (1)

Stoich.:

A14B41C54 (1)

Weight, g/mol:

382.062343

ΔHf, kcal/mol:

-485.68

Dipole, Da:

5.49

IP(EA), eV:

 -9.32(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,5,8-trioxo-3-phenyl-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C12COC(=O)C=CC1C3(CCC4C5CC(=C)C6C(C5(C(C(C4(C3C(C2OC(=C)C)OC(=O)C)C)OC(=O)C)OC(=O)C)C)(O6)C(=O)OC)C)OC(=O)C

DOS

IR

Vibrations