Geometry & MOs

Info

ID:	10599
PubChem CID:	105383
Reduced:	O5N7H23C38 (1)
Stoich.:	A5B7C23D38 (1)
Weight, g/mol:	657.176067
ΔH_f, kcal/mol:	37.52
Dipole, Da:	5.65
IP(EA), eV:	-9.19(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[bis(4-oxo-1H-quinazolin-2-yl)methyldiazenyl]-9,10-dioxoanthracen-1-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N=NC(C5=NC(=O)C6=CC=CC=C6N5)C7=NC(=O)C8=CC=CC=C8N7

DOS

IR

Vibrations