Geometry & MOs

Info

ID:	87269
PubChem CID:	49893506
Reduced:	SN2O3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	409.053942
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	5.71
IP(EA), eV:	-9.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC#N)/SC2=O

DOS

IR

Vibrations