Geometry & MOs

Info

ID:

4346

PubChem CID:

11256

Reduced:

NO4C11H12 (2)

Stoich.:

AB4C11D12 (2)

Weight, g/mol:

444.153266

ΔHf, kcal/mol:

-308.64

Dipole, Da:

4.92

IP(EA), eV:

 -8.97(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Drug info:

PubChemData

Smile

C[C@@H]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

DOS

IR

Vibrations