Geometry & MOs

Info

ID:	54822
PubChem CID:	17389348
Reduced:	SO2Cl3N4H17C23 (1)
Stoich.:	AB2C3D4E17F23 (1)
Weight, g/mol:	325.96507
ΔH_f, kcal/mol:	25.32
Dipole, Da:	2.56
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-cyanoacetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)Cl)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations