Geometry & MOs

Info

ID:	224838
PubChem CID:	85444484
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	679.94238
ΔH_f, kcal/mol:	-51.95
Dipole, Da:	3.21
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3',7-dibromo-8'-chloro-10'-hydroxy-10'-(3-oxobutan-2-yl)spiro[1H-benzo[e][1]benzofuran-2,11'-benzo[a]xanthene]-9'-one

Drug info:

PubChemData

Smile

C1CC2C(C1)OC(NC2=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations