Geometry & MOs

Info

ID:

7457

PubChem CID:

72745

Reduced:

NO2H6C11 (4)

Stoich.:

AB2C6D11 (4)

Weight, g/mol:

736.159414

ΔHf, kcal/mol:

-68.31

Dipole, Da:

8.57

IP(EA), eV:

 -7.9(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-amino-N-[4-(1-amino-9,10-dioxoanthracene-2-carbonyl)imino-9,10-dioxoanthracen-1-ylidene]-9,10-dihydroxyanthracene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC(=C(C3=C2O)N)C(=O)N=C4C=CC(=NC(=O)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)C8=C4C(=O)C9=CC=CC=C9C8=O)O

DOS

IR

Vibrations