Geometry & MOs

Info

ID:	54181
PubChem CID:	14745540
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	553.930763
ΔH_f, kcal/mol:	-139.62
Dipole, Da:	4.15
IP(EA), eV:	-9.47(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6'-acetyloxy-4,5,6,7-tetrachloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate

Drug info:

PubChemData

Smile

CN(C)C(=O)CCC1CC(=O)CCC1=O

DOS

IR

Vibrations