Geometry & MOs

Info

ID:	87990
PubChem CID:	49899421
Reduced:	BrClNSO4H17C28 (1)
Stoich.:	ABCDE4F17G28 (1)
Weight, g/mol:	430.030954
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=C(C=CC(=C4)Br)OC(=O)C5=CC=CC=C5Cl)/SC3=O

DOS

IR

Vibrations