Geometry & MOs

Info

ID:	307341
PubChem CID:	125299627
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	56.16
Dipole, Da:	3.16
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(2H-indol-3-yl)-1-[(2R)-2-methylsulfanyl-2,3-dihydro-1,3,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CS[C@H]1NN=C(O1)[C@@H](CC2=C3C=CC=CC3=NC2)N

DOS

IR

Vibrations