Geometry & MOs

Info

ID:

335166

PubChem CID:

127254027

Reduced:

N5O8C36H43 (1)

Stoich.:

A5B8C36D43 (1)

Weight, g/mol:

435.131802

ΔHf, kcal/mol:

-182.23

Dipole, Da:

3.89

IP(EA), eV:

 -8.76(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-(4-hydroxyanilino)ethylidene]-8,9b-dimethyldibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCCC1=NC(=NO1)C2=CC=CO2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations