Geometry & MOs

Info

ID:	123652
PubChem CID:	50857905
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	456.07107
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	7.31
IP(EA), eV:	-8.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C(=O)/C(=C\C2=CN(C(=C2)C)C3=CC=C(C=C3)OC)/SC1=O

DOS

IR

Vibrations