Geometry & MOs

Info

ID:	87868
PubChem CID:	49898122
Reduced:	SCl2N2O2H20C27 (1)
Stoich.:	AB2C2D2E20F27 (1)
Weight, g/mol:	441.934861
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	5.57
IP(EA), eV:	-8.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations