Geometry & MOs

Info

ID:	88302
PubChem CID:	49902853
Reduced:	BrClFNSO4H18C25 (1)
Stoich.:	ABCDEF4G18H25 (1)
Weight, g/mol:	406.93824
ΔH_f, kcal/mol:	-118.11
Dipole, Da:	5.5
IP(EA), eV:	-9.19(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-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=C(C=C3)Br)Cl)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations