Geometry & MOs

Info

ID:	87079
PubChem CID:	49891674
Reduced:	BrFNSO3H19C28 (1)
Stoich.:	ABCDE3F19G28 (1)
Weight, g/mol:	527.00635
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	4.9
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2COC3=C(C=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5F)Br

DOS

IR

Vibrations