Geometry & MOs

Info

ID:

43972

PubChem CID:

10322569

Reduced:

N2O6H24C27 (1)

Stoich.:

A2B6C24D27 (1)

Weight, g/mol:

472.195799

ΔHf, kcal/mol:

-136.57

Dipole, Da:

7.62

IP(EA), eV:

 -8.89(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4S,12aS)-9-amino-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)N2[C@H](C3=CCC=CC3)C(=O)OC)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations