Geometry & MOs

Info

ID:

178452

PubChem CID:

76331548

Reduced:

Cl9O19H35C37 (1)

Stoich.:

A9B19C35D37 (1)

Weight, g/mol:

489.123718

ΔHf, kcal/mol:

-789.19

Dipole, Da:

6.15

IP(EA), eV:

 -9.23(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-(4-fluorophenyl)-6-oxo-1-[(E)-1-(3-oxobenzo[f]chromen-2-yl)ethylideneamino]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC(=C(C=C35)O)O)C6=CC(=C(C(=C6)OC)OC(=O)OCC(Cl)(Cl)Cl)OC)OC(=O)OCC(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations