Geometry & MOs

Info

ID:	388621
PubChem CID:	134989679
Reduced:	BNOSF4H8C9 (1)
Stoich.:	ABCDE4F8G9 (1)
Weight, g/mol:	222.046299
ΔH_f, kcal/mol:	-301.28
Dipole, Da:	11.35
IP(EA), eV:	-10.68(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-methylsulfanyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1=N[O+]=C(S1)C2=CC=CC=C2

DOS

IR

Vibrations