Geometry & MOs

Info

ID:	31509
PubChem CID:	855806
Reduced:	OSCl2N3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	57.14
Dipole, Da:	0.68
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations