Geometry & MOs

Info

ID:	87531
PubChem CID:	49895234
Reduced:	SO2N3H23C29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	427.04452
ΔH_f, kcal/mol:	36.97
Dipole, Da:	3.51
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5C#N)C)/SC2=O

DOS

IR

Vibrations