Geometry & MOs

Info

ID:	86898
PubChem CID:	49889940
Reduced:	BrClFNSO3H16C24 (1)
Stoich.:	ABCDEF3G16H24 (1)
Weight, g/mol:	371.099143
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	3.64
IP(EA), eV:	-9.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)Br)Cl

DOS

IR

Vibrations