Geometry & MOs

Info

ID:	129029
PubChem CID:	51067164
Reduced:	FSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	411.057503
ΔH_f, kcal/mol:	-135.1
Dipole, Da:	7.98
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[4,5-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-ylidene]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=NC(=O)C2=CC=CC=C2F)N1CC(=O)NCC3CCCO3)C

DOS

IR

Vibrations