Geometry & MOs

Info

ID:	54577
PubChem CID:	17388930
Reduced:	ClFON3H11C16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	320.075684
ΔH_f, kcal/mol:	35.13
Dipole, Da:	3.24
IP(EA), eV:	-8.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(/C(=C\NNC(=O)C3=CC=C(C=C3)F)/N=C2C=C1)Cl

DOS

IR

Vibrations