Geometry & MOs

Info

ID:	86598
PubChem CID:	49887522
Reduced:	ClSN2O2H15C20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	396.949783
ΔH_f, kcal/mol:	-21.15
Dipole, Da:	4.67
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations