Geometry & MOs

Info

ID:	169186
PubChem CID:	75072318
Reduced:	O4C27H34 (1)
Stoich.:	A4B27C34 (1)
Weight, g/mol:	458.121297
ΔH_f, kcal/mol:	-157.94
Dipole, Da:	5.49
IP(EA), eV:	-8.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5C4CC(C(=O)C5)(C)O)C)C)C)O

DOS

IR

Vibrations