Geometry & MOs

Info

ID:	86744
PubChem CID:	49888822
Reduced:	BrClFNSO3H16C24 (1)
Stoich.:	ABCDEF3G16H24 (1)
Weight, g/mol:	448.902775
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	4.03
IP(EA), eV:	-9.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trichloro-3-hydroxyphenyl)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)F)Br)/SC2=O)Cl

DOS

IR

Vibrations