Geometry & MOs

Info

ID:	136660
PubChem CID:	52080675
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	423.105291
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	3.22
IP(EA), eV:	-8.62(-0.95)
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-dimethylthiophen-2-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations