Geometry & MOs

Info

ID:	31563
PubChem CID:	855875
Reduced:	FSN3O3H12C16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	329.047027
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	3.9
IP(EA), eV:	-9.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations