Geometry & MOs

Info

ID:	408484
PubChem CID:	135081250
Reduced:	INS2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	77.42
Dipole, Da:	5.37
IP(EA), eV:	-8.34(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)SN=S2I

DOS

IR

Vibrations