Geometry & MOs

Info

ID:	176192
PubChem CID:	76007542
Reduced:	ClFOSN3H16C17 (1)
Stoich.:	ABCDE3F16G17 (1)
Weight, g/mol:	419.050013
ΔH_f, kcal/mol:	40.87
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788359
Charge, e:	-1

Chem-info

IUPAC name:

1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=NN=C(O2)SCC3=CC=CC=C3F)N.[Cl-]

DOS

IR

Vibrations