Geometry & MOs

Info

ID:	77992
PubChem CID:	49681470
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	406.050254
ΔH_f, kcal/mol:	17.9
Dipole, Da:	3.92
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)sulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations