Geometry & MOs

Info

ID:	86646
PubChem CID:	49888147
Reduced:	ClINSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	538.9455
ΔH_f, kcal/mol:	-62.74
Dipole, Da:	3.47
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)I)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations