Geometry & MOs

Info

ID:	123563
PubChem CID:	50854171
Reduced:	OSCl2N3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	378.060505
ΔH_f, kcal/mol:	21.93
Dipole, Da:	6.42
IP(EA), eV:	-8.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C/3\C(=O)N=C(S3)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations