Geometry & MOs

Info

ID:	68681
PubChem CID:	46508886
Reduced:	NSO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	455.076276
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	1.2
IP(EA), eV:	-8.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 3-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC(=O)OCC2=C(OC(=N2)C3=CC=CS3)C

DOS

IR

Vibrations