Geometry & MOs

Info

ID:	139143
PubChem CID:	52482783
Reduced:	FNSO5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	463.120192
ΔH_f, kcal/mol:	-171.14
Dipole, Da:	5.0
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations