Geometry & MOs

Info

ID:	87903
PubChem CID:	49898513
Reduced:	BrSN2O5H25C31 (1)
Stoich.:	ABC2D5E25F31 (1)
Weight, g/mol:	467.095807
ΔH_f, kcal/mol:	-91.85
Dipole, Da:	2.64
IP(EA), eV:	-8.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-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=CC4=CC=CC=C43)Br)OCC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations