Geometry & MOs

Info

ID:	135778
PubChem CID:	51934857
Reduced:	ClSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	401.096476
ΔH_f, kcal/mol:	7.88
Dipole, Da:	5.81
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=CC=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations