Geometry & MOs

Info

ID:

334953

PubChem CID:

127253759

Reduced:

O9H32C37 (1)

Stoich.:

A9B32C37 (1)

Weight, g/mol:

473.158685

ΔHf, kcal/mol:

-229.37

Dipole, Da:

3.03

IP(EA), eV:

 -8.5(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-[(2-methyl-3H-benzimidazol-5-yl)amino]ethylidene]dibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC(=C(C=C5)OC)OCCC6=CC7=C(C=C6)OCC7)OC

DOS

IR

Vibrations