Geometry & MOs

Info

ID:	86697
PubChem CID:	49888528
Reduced:	ClNSO3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	403.064507
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	4.32
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations