Geometry & MOs

Info

ID:	123571
PubChem CID:	50854466
Reduced:	N2F3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	7.76
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-benzyl-5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)/C=C(\C#N)/C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations