Geometry & MOs

Info

ID:	136659
PubChem CID:	52080236
Reduced:	SO3N7H11C17 (1)
Stoich.:	AB3C7D11E17 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	135.4
Dipole, Da:	10.74
IP(EA), eV:	-9.34(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations