Geometry & MOs

Info

ID:	87699
PubChem CID:	49896609
Reduced:	BrNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	4.73
IP(EA), eV:	-8.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Br)OC

DOS

IR

Vibrations