Geometry & MOs

Info

ID:	39174
PubChem CID:	8139867
Reduced:	BrON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	407.034269
ΔH_f, kcal/mol:	-4.51
Dipole, Da:	5.46
IP(EA), eV:	-9.29(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations