Geometry & MOs

Info

ID:	245119
PubChem CID:	99437565
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	356.128469
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	7.6
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-fluoropyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N([C@@H]2CCS(=O)(=O)C2)C(=O)C3=CN4C=CN=C4C=C3

DOS

IR

Vibrations