Geometry & MOs

Info

ID:	87149
PubChem CID:	49892675
Reduced:	SCl2N3O4H13C21 (1)
Stoich.:	AB2C3D4E13F21 (1)
Weight, g/mol:	443.01497
ΔH_f, kcal/mol:	-6.76
Dipole, Da:	4.53
IP(EA), eV:	-9.44(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations