Geometry & MOs

Info

ID:	335006
PubChem CID:	127253812
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	469.09283
ΔH_f, kcal/mol:	-111.29
Dipole, Da:	7.88
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-2-[1-(5-chloro-2-hydroxyanilino)ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations