Geometry & MOs

Info

ID:	31566
PubChem CID:	855878
Reduced:	ClSN2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	318.022977
ΔH_f, kcal/mol:	9.41
Dipole, Da:	1.21
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=NN=C(O2)SCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations