Geometry & MOs

Info

ID:	87154
PubChem CID:	49892715
Reduced:	ClNSO4H20C25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	406.030954
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	1.46
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations