Geometry & MOs

Info

ID:	86632
PubChem CID:	49887831
Reduced:	BrNSCl3O4H17C25 (1)
Stoich.:	ABCD3E4F17G25 (1)
Weight, g/mol:	432.95389
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	5.97
IP(EA), eV:	-8.91(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(E)-3-(4-bromophenyl)prop-2-enylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)Br)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations