Geometry & MOs

Info

ID:	86741
PubChem CID:	49888813
Reduced:	ClSN2O2H19C23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	445.94914
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	9.27
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-1H-indol-3-yl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations