Geometry & MOs

Info

ID:	86994
PubChem CID:	49890386
Reduced:	BrFNS2O5H15C23 (1)
Stoich.:	ABCD2E5F15G23 (1)
Weight, g/mol:	389.088578
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	5.43
IP(EA), eV:	-9.25(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-phenylphenyl)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)F)Br)OC(=O)C4=CC=CS4

DOS

IR

Vibrations