Geometry & MOs

Info

ID:	87456
PubChem CID:	49894756
Reduced:	INSO4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	355.087829
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	4.12
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)OC

DOS

IR

Vibrations