Geometry & MOs

Info

ID:	87449
PubChem CID:	49894676
Reduced:	ClNSO4H18C23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	441.026013
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	5.68
IP(EA), eV:	-8.71(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)OC)Cl)/SC2=O

DOS

IR

Vibrations