Geometry & MOs

Info

ID:	128740
PubChem CID:	51056579
Reduced:	BrClSN2O2H12C17 (1)
Stoich.:	ABCD2E2F12G17 (1)
Weight, g/mol:	331.080435
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	4.88
IP(EA), eV:	-8.78(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(3-nitrophenoxy)acetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CNC3=CC=CC=C3Br)Cl

DOS

IR

Vibrations