Geometry & MOs

Info

ID:	68781
PubChem CID:	46509077
Reduced:	FNSO4C18H20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	449.08122
ΔH_f, kcal/mol:	-176.57
Dipole, Da:	3.93
IP(EA), eV:	-9.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(butan-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)F

DOS

IR

Vibrations