Geometry & MOs

Info

ID:	381496
PubChem CID:	134972253
Reduced:	O6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-202.98
Dipole, Da:	1.87
IP(EA), eV:	-9.53(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S)-2,8-dihydroxy-1,3-dimethyl-1-(3-methylbutyl)-4-oxo-3H-anthracene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)O)OCC(=O)O

DOS

IR

Vibrations