Geometry & MOs

Info

ID:	135777
PubChem CID:	51934685
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	401.096476
ΔH_f, kcal/mol:	114.14
Dipole, Da:	6.71
IP(EA), eV:	-9.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NN=NN1C2CC2)[C@H]3CCC4=CC=CC=C34

DOS

IR

Vibrations