Geometry & MOs

Info

ID:	70000
PubChem CID:	47206604
Reduced:	BrNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	286.017891
ΔH_f, kcal/mol:	-102.72
Dipole, Da:	6.48
IP(EA), eV:	-9.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methylsulfonylmethyl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)CS(=O)(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations