Geometry & MOs

Info

ID:

166712

PubChem CID:

74724231

Reduced:

ClN3O4C28H28 (1)

Stoich.:

AB3C4D28E28 (1)

Weight, g/mol:

455.181826

ΔHf, kcal/mol:

-90.01

Dipole, Da:

6.11

IP(EA), eV:

 -8.87(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations