Geometry & MOs

Info

ID:	123240
PubChem CID:	50839078
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-34.0
Dipole, Da:	4.36
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)C

DOS

IR

Vibrations