Geometry & MOs

Info

ID:	86945
PubChem CID:	49890102
Reduced:	BrFINSO3H10C17 (1)
Stoich.:	ABCDEF3G10H17 (1)
Weight, g/mol:	396.974248
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	1.65
IP(EA), eV:	-9.54(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C(C(=CC(=C3)Br)I)O)/SC2=O)F

DOS

IR

Vibrations