Geometry & MOs

Info

ID:

7637

PubChem CID:

73576

Reduced:

NO11H25C29 (1)

Stoich.:

AB11C25D29 (1)

Weight, g/mol:

563.142761

ΔHf, kcal/mol:

-403.8

Dipole, Da:

9.92

IP(EA), eV:

 -9.34(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(5R)-1,5,9,14-tetrahydroxy-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[C@H]2O)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