Geometry & MOs

Info

ID:	86762
PubChem CID:	49888977
Reduced:	ClSO5N6H27C28 (1)
Stoich.:	ABC5D6E27F28 (1)
Weight, g/mol:	439.064507
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	2.97
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)OC3=CC=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Cl)N6CCOCC6

DOS

IR

Vibrations