Geometry & MOs

Info

ID:	237382
PubChem CID:	92719001
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	6.25
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)SC2=NN=C(O2)C3=CC=C(C=C3)C

DOS

IR

Vibrations