Geometry & MOs

Info

ID:	66288
PubChem CID:	46501293
Reduced:	N2Cl3O3H17C22 (1)
Stoich.:	A2B3C3D17E22 (1)
Weight, g/mol:	680.85687
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	4.6
IP(EA), eV:	-8.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 2-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations