Geometry & MOs

Info

ID:	128876
PubChem CID:	51061855
Reduced:	BrClN3O4H17C23 (1)
Stoich.:	ABC3D4E17F23 (1)
Weight, g/mol:	595.99053
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	3.86
IP(EA), eV:	-9.31(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations