Geometry & MOs

Info

ID:	68918
PubChem CID:	46511934
Reduced:	SF3O3N4C21H21 (1)
Stoich.:	AB3C3D4E21F21 (1)
Weight, g/mol:	460.016367
ΔH_f, kcal/mol:	-198.96
Dipole, Da:	6.87
IP(EA), eV:	-9.73(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations