Geometry & MOs

Info

ID:

89963

PubChem CID:

49965621

Reduced:

SO4N5H21C25 (1)

Stoich.:

AB4C5D21E25 (1)

Weight, g/mol:

549.2475

ΔHf, kcal/mol:

-18.95

Dipole, Da:

9.97

IP(EA), eV:

 -8.08(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)N2

DOS

IR

Vibrations