Geometry & MOs

Info

ID:	123356
PubChem CID:	50844144
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	9.82
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzenesulfonyl)ethyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C3=C(C=C(C=C3)OC)C

DOS

IR

Vibrations