Geometry & MOs

Info

ID:	61276
PubChem CID:	26707867
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	452.13184
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	5.41
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)SC)C(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations