Geometry & MOs

Info

ID:	80704
PubChem CID:	49835968
Reduced:	SF3N3O3C17H22 (1)
Stoich.:	AB3C3D3E17F22 (1)
Weight, g/mol:	330.083827
ΔH_f, kcal/mol:	-239.78
Dipole, Da:	3.32
IP(EA), eV:	-9.68(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H](CNS(=O)(=O)C(C)C)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)CO

DOS

IR

Vibrations