Geometry & MOs

Info

ID:

2285

PubChem CID:

6604

Reduced:

N2O9C22H24 (1)

Stoich.:

A2B9C22D24 (1)

Weight, g/mol:

460.14818

ΔHf, kcal/mol:

-348.39

Dipole, Da:

6.36

IP(EA), eV:

 -8.93(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@@H]([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)O

DOS

IR

Vibrations