Geometry & MOs

Info

ID:	87432
PubChem CID:	49894596
Reduced:	BrClSN2O5H16C25 (1)
Stoich.:	ABCD2E5F16G25 (1)
Weight, g/mol:	426.00376
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	5.17
IP(EA), eV:	-9.01(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC(=CC=C4)Cl)/SC2=O

DOS

IR

Vibrations