Geometry & MOs

Info

ID:	7635
PubChem CID:	73572
Reduced:	O5H8C12 (2)
Stoich.:	A5B8C12 (2)
Weight, g/mol:	464.074347
ΔH_f, kcal/mol:	-370.41
Dipole, Da:	7.24
IP(EA), eV:	-9.48(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-1,5,7,9,11,14-hexahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C[C@H]2O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)O)O)O)C(=C1C(=O)O)O

DOS

IR

Vibrations