Geometry & MOs

Info

ID:	334606
PubChem CID:	127253281
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	435.131802
ΔH_f, kcal/mol:	-120.83
Dipole, Da:	5.62
IP(EA), eV:	-8.26(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)OC1

DOS

IR

Vibrations