Geometry & MOs

Info

ID:

334421

PubChem CID:

127252973

Reduced:

ClN2O6H25C26 (1)

Stoich.:

AB2C6D25E26 (1)

Weight, g/mol:

500.158351

ΔHf, kcal/mol:

-173.28

Dipole, Da:

6.3

IP(EA), eV:

 -8.54(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-[(2-methyl-4-oxo-1H-quinolin-6-yl)amino]ethylidene]dibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=CNC5=C4C=C(C=C5)O

DOS

IR

Vibrations