Geometry & MOs

Info

ID:	87974
PubChem CID:	49899241
Reduced:	BrNSCl2O3H18C28 (1)
Stoich.:	ABCD2E3F18G28 (1)
Weight, g/mol:	362.988755
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	1.53
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5Cl)Cl)/SC3=O

DOS

IR

Vibrations