Geometry & MOs

Info

ID:	139144
PubChem CID:	52482784
Reduced:	SN3O5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	463.120192
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	8.3
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(benzenesulfonamido)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C)OC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations