Geometry & MOs

Info

ID:	87661
PubChem CID:	49896371
Reduced:	SN2O3H16C23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	1.49
IP(EA), eV:	-9.14(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4C#N)/SC2=O

DOS

IR

Vibrations