Geometry & MOs

Info

ID:	171016
PubChem CID:	75312551
Reduced:	SO6N8H26C35 (1)
Stoich.:	AB6C8D26E35 (1)
Weight, g/mol:	456.00693
ΔH_f, kcal/mol:	19.49
Dipole, Da:	16.87
IP(EA), eV:	-8.76(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C(C(=C(C=C3)N)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)NN=C6C=CC(=O)C(=C6)C(=O)O)N

DOS

IR

Vibrations