Geometry & MOs

Info

ID:	87879
PubChem CID:	49898300
Reduced:	NS2O6H21C28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	515.095807
ΔH_f, kcal/mol:	-123.96
Dipole, Da:	7.81
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations