Geometry & MOs

Info

ID:	87275
PubChem CID:	49893561
Reduced:	SN2O6H22C30 (1)
Stoich.:	AB2C6D22E30 (1)
Weight, g/mol:	407.01497
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	5.37
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations