Geometry & MOs

Info

ID:	334865
PubChem CID:	127253671
Reduced:	ClN2O6C24H31 (1)
Stoich.:	AB2C6D24E31 (1)
Weight, g/mol:	477.142367
ΔH_f, kcal/mol:	-221.78
Dipole, Da:	8.13
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(C)(C)N4CCOCC4

DOS

IR

Vibrations