Geometry & MOs

Info

ID:	176193
PubChem CID:	76007543
Reduced:	OSCl2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	385.088985
ΔH_f, kcal/mol:	94.47
Dipole, Da:	3.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750347
Charge, e:	-1

Chem-info

IUPAC name:

1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C3=NN=C(O3)SCC4=CC=C(C=C4)Cl)N.[Cl-]

DOS

IR

Vibrations