Geometry & MOs

Info

ID:

89986

PubChem CID:

49965744

Reduced:

NO5C32H43 (1)

Stoich.:

AB5C32D43 (1)

Weight, g/mol:

551.015102

ΔHf, kcal/mol:

-159.21

Dipole, Da:

3.97

IP(EA), eV:

 -8.35(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C/C(=C\C2=CC(=C(C=C2)OCCC)OCC)/C(=O)/C(=C/C3=CC(=C(C=C3)OCCC)OCC)/C1

DOS

IR

Vibrations