Geometry & MOs

Info

ID:	171249
PubChem CID:	75349371
Reduced:	ClNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	545.106372
ΔH_f, kcal/mol:	-59.79
Dipole, Da:	7.41
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)COC3=CC=C(C=C3)C=C4C(=O)N(C(=O)S4)CCOC5=CC=C(C=C5)Cl

DOS

IR

Vibrations