Geometry & MOs

Info

ID:

334305

PubChem CID:

127252857

Reduced:

ClN3O8H32C33 (1)

Stoich.:

AB3C8D32E33 (1)

Weight, g/mol:

444.120903

ΔHf, kcal/mol:

-230.33

Dipole, Da:

8.95

IP(EA), eV:

 -8.71(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)OCC4=NC=CN4C)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations