Geometry & MOs

Info

ID:	371720
PubChem CID:	131271023
Reduced:	ClFNSH5O5C7 (1)
Stoich.:	ABCDE5F5G7 (1)
Weight, g/mol:	199.106925
ΔH_f, kcal/mol:	-136.8
Dipole, Da:	8.79
IP(EA), eV:	-10.54(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(piperazine-1-carbonyl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1S(=O)(=O)Cl)[N+](=O)[O-])F

DOS

IR

Vibrations