Geometry & MOs

Info

ID:	171141
PubChem CID:	75333084
Reduced:	BrClSN2O3H12C19 (1)
Stoich.:	ABCD2E3F12G19 (1)
Weight, g/mol:	459.97425
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	4.88
IP(EA), eV:	-9.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-3-ylmethylidene)-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC#N)SC2=O

DOS

IR

Vibrations