Geometry & MOs

Info

ID:

334685

PubChem CID:

127253360

Reduced:

N5O8H27C30 (1)

Stoich.:

A5B8C27D30 (1)

Weight, g/mol:

444.120903

ΔHf, kcal/mol:

-163.7

Dipole, Da:

9.29

IP(EA), eV:

 -8.91(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)N5C[C@H]6C[C@@H](C5)C7=CC=C(C(=O)N7C6)[N+](=O)[O-])OC

DOS

IR

Vibrations