Geometry & MOs

Info

ID:	171267
PubChem CID:	75350939
Reduced:	BrClSN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	539.176644
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	3.65
IP(EA), eV:	-8.64(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4Cl)SC2=O

DOS

IR

Vibrations