Geometry & MOs

Info

ID:	194118
PubChem CID:	78484618
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	334.03429
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	11.96
IP(EA), eV:	-7.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chlorophenyl)ethylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations