Geometry & MOs

Info

ID:

7279

PubChem CID:

71903

Reduced:

ClN2O8C22H25 (1)

Stoich.:

AB2C8D22E25 (1)

Weight, g/mol:

480.129944

ΔHf, kcal/mol:

-329.66

Dipole, Da:

3.8

IP(EA), eV:

 -8.75(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione;hydrochloride

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2C[C@H]3[C@H](C(=O)C(=C(N)O)C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl

DOS

IR

Vibrations