Geometry & MOs

Info

ID:	122724
PubChem CID:	50818629
Reduced:	ClS2N4O4C21H21 (1)
Stoich.:	AB2C4D4E21F21 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	4.33
IP(EA), eV:	-8.62(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[2-[methyl(3-methylbutylcarbamoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations