Geometry & MOs

Info

ID:

90038

PubChem CID:

49965900

Reduced:

Cl2F2O2N3H17C24 (1)

Stoich.:

A2B2C2D3E17F24 (1)

Weight, g/mol:

593.23733

ΔHf, kcal/mol:

-80.99

Dipole, Da:

4.64

IP(EA), eV:

 -9.18(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (8E)-2-amino-3-cyano-4-(2,4,5-trimethoxyphenyl)-8-[(2,4,5-trimethoxyphenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C/C(=C\C2=C(C=CC=C2Cl)F)/C3=C(C1)C(C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations