Geometry & MOs

Info

ID:	86706
PubChem CID:	49888552
Reduced:	BrNSCl2O3H16C24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	502.03506
ΔH_f, kcal/mol:	-45.4
Dipole, Da:	1.54
IP(EA), eV:	-9.34(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)Br)/SC2=O)Cl

DOS

IR

Vibrations