Geometry & MOs

Info

ID:	220000
PubChem CID:	85165130
Reduced:	O14C31H34 (1)
Stoich.:	A14B31C34 (1)
Weight, g/mol:	630.188983
ΔH_f, kcal/mol:	-553.96
Dipole, Da:	2.32
IP(EA), eV:	-9.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-trityloxypropyl) 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)OCC2C(C(C(O2)OC)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C

DOS

IR

Vibrations