Geometry & MOs

Info

ID:	54727
PubChem CID:	17389166
Reduced:	OBr2N2S2H12C17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	546.88898
ΔH_f, kcal/mol:	56.91
Dipole, Da:	2.14
IP(EA), eV:	-8.89(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenoxy)-N'-[(Z)-(3,5-diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CNC3=CC(=CC=C3)Br

DOS

IR

Vibrations