Geometry & MOs

Info

ID:	31660
PubChem CID:	855990
Reduced:	ClSN2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	318.022977
ΔH_f, kcal/mol:	-20.14
Dipole, Da:	1.58
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations