Geometry & MOs

Info

ID:	88367
PubChem CID:	49903065
Reduced:	NS2O3H17C25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	495.150429
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	1.37
IP(EA), eV:	-8.7(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations