Geometry & MOs

Info

ID:	123370
PubChem CID:	50844259
Reduced:	SO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	346.078742
ΔH_f, kcal/mol:	42.31
Dipole, Da:	7.24
IP(EA), eV:	-9.21(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzenesulfonyl)ethyl]-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3C(=C(C(=N3)C)S(=O)(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations