Geometry & MOs

Info

ID:	18556
PubChem CID:	542852
Reduced:	N3O4H9C14 (2)
Stoich.:	A3B4C9D14 (2)
Weight, g/mol:	566.118612
ΔH_f, kcal/mol:	-17.0
Dipole, Da:	2.63
IP(EA), eV:	-8.85(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-amino-4-imino-5-[(2-nitrobenzoyl)amino]-9,10-dioxoanthracen-1-ylidene]-2-(dihydroxyamino)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N=C2C=CC(=N)C3=C2C(=O)C4=C(C=CC(=C4C3=O)NC(=O)C5=CC=CC=C5[N+](=O)[O-])N)N(O)O

DOS

IR

Vibrations