Geometry & MOs

Info

ID:	123357
PubChem CID:	50844145
Reduced:	SN2O5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-88.45
Dipole, Da:	8.03
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(benzenesulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NC(=NO2)CCS(=O)(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations