Geometry & MOs

Info

ID:	54799
PubChem CID:	17389298
Reduced:	O4N6H12C13 (1)
Stoich.:	A4B6C12D13 (1)
Weight, g/mol:	409.96844
ΔH_f, kcal/mol:	60.18
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-1.78)
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-pyridin-2-ylsulfanylacetohydrazide

Drug info:

PubChemData

Smile

C=CCC1=CC=C/C(=C/NNC(=O)C2=NC(=NN2)[N+](=O)[O-])/C1=O

DOS

IR

Vibrations