Geometry & MOs

Info

ID:	85825
PubChem CID:	49879598
Reduced:	FOSCl2N3C11H11 (1)
Stoich.:	ABCD2E3F11G11 (1)
Weight, g/mol:	372.034028
ΔH_f, kcal/mol:	-21.65
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.050939
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone;chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)CCN)F.[Cl-]

DOS

IR

Vibrations