Geometry & MOs

Info

ID:	87445
PubChem CID:	49894663
Reduced:	ClNS2O5H20C28 (1)
Stoich.:	ABC2D5E20F28 (1)
Weight, g/mol:	443.080299
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	1.8
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=C(C=C5)Cl)/SC2=O

DOS

IR

Vibrations