Geometry & MOs

Info

ID:	198773
PubChem CID:	79148426
Reduced:	FNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	281.099811
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	2.97
IP(EA), eV:	-8.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

C1CC(C(C1)SC2=C(C=CC(=C2)F)N)O

DOS

IR

Vibrations