Geometry & MOs

Info

ID:

7636

PubChem CID:

73575

Reduced:

NO12H25C29 (1)

Stoich.:

AB12C25D29 (1)

Weight, g/mol:

579.137675

ΔHf, kcal/mol:

-439.82

Dipole, Da:

7.65

IP(EA), eV:

 -9.38(-2.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1,5,6,9,14-pentahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C(C2O)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O)OC)C(=C1C(=O)N[C@H](C)C(=O)O)O

DOS

IR

Vibrations