Geometry & MOs

Info

ID:	237381
PubChem CID:	92718994
Reduced:	BrSO2N3C22H24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-9.18
Dipole, Da:	2.93
IP(EA), eV:	-9.2(-1.38)
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-[(1R)-1-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CC(C)C)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations