Geometry & MOs

Info

ID:	320895
PubChem CID:	126664169
Reduced:	ClSN5O5C19H22 (1)
Stoich.:	ABC5D5E19F22 (1)
Weight, g/mol:	220.064806
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	11.45
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluorophenyl)cyclopropyl]-2H-1,2,4-oxadiazol-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN(NO3)COC4=CC=C(C=C4)Cl

DOS

IR

Vibrations