Geometry & MOs

Info

ID:	18076
PubChem CID:	536637
Reduced:	O4H9C17 (2)
Stoich.:	A4B9C17 (2)
Weight, g/mol:	554.100168
ΔH_f, kcal/mol:	-144.02
Dipole, Da:	3.57
IP(EA), eV:	-8.53(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-acetyloxy-6,11,17,18-tetraoxotrinaphthylen-5-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C(=C3C(=C(C4=CC=CC=C4C3=O)OC(=O)C)C5=C2C(=O)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C71

DOS

IR

Vibrations