Geometry & MOs

Info

ID:	133566
PubChem CID:	51553103
Reduced:	SF3N3O4H15C18 (1)
Stoich.:	AB3C3D4E15F18 (1)
Weight, g/mol:	449.036768
ΔH_f, kcal/mol:	-215.07
Dipole, Da:	7.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768554
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)[C@@](N=C2[O-])(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations