Geometry & MOs

Info

ID:	142477
PubChem CID:	53042181
Reduced:	FS2N4O4C24H27 (1)
Stoich.:	AB2C4D4E24F27 (1)
Weight, g/mol:	345.094726
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	1.86
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(SC(=C3)C4=NOC(=N4)C5CCC5)C)F

DOS

IR

Vibrations