Geometry & MOs

Info

ID:	87505
PubChem CID:	49895098
Reduced:	NSCl2O5H19C26 (1)
Stoich.:	ABC2D5E19F26 (1)
Weight, g/mol:	310.077599
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	3.03
IP(EA), eV:	-9.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-methylphenyl)methyl]-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)OC)/SC2=O

DOS

IR

Vibrations