Geometry & MOs

Info

ID:	87600
PubChem CID:	49895686
Reduced:	SCl2N2O4H20C26 (1)
Stoich.:	AB2C2D4E20F26 (1)
Weight, g/mol:	378.140199
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	2.45
IP(EA), eV:	-9.15(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-methylphenyl)methyl]-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)NC4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations