Geometry & MOs

Info

ID:	87074
PubChem CID:	49891539
Reduced:	BrFNSO4H13C18 (1)
Stoich.:	ABCDE4F13G18 (1)
Weight, g/mol:	453.06017
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	4.43
IP(EA), eV:	-9.12(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-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=CC=C3F)Br)O

DOS

IR

Vibrations