Geometry & MOs

Info

ID:	87186
PubChem CID:	49892954
Reduced:	SCl2N2O3H20C27 (1)
Stoich.:	AB2C2D3E20F27 (1)
Weight, g/mol:	435.04627
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	6.19
IP(EA), eV:	-8.67(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations