Geometry & MOs

Info

ID:	77989
PubChem CID:	49681407
Reduced:	BrNSO4C10H18 (1)
Stoich.:	ABCD4E10F18 (1)
Weight, g/mol:	358.073576
ΔH_f, kcal/mol:	-182.8
Dipole, Da:	2.93
IP(EA), eV:	-9.57(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)OCC(O2)CNS(=O)(=O)CBr

DOS

IR

Vibrations