Geometry & MOs

Info

ID:	87892
PubChem CID:	49898460
Reduced:	NSO6H21C25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	519.04627
ΔH_f, kcal/mol:	-159.6
Dipole, Da:	0.79
IP(EA), eV:	-8.97(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OC

DOS

IR

Vibrations