Geometry & MOs

Info

ID:	87686
PubChem CID:	49896514
Reduced:	ClNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	343.043378
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	2.9
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OCC4=CC(=CC=C4)Cl)/SC2=O

DOS

IR

Vibrations