Geometry & MOs

Info

ID:	86840
PubChem CID:	49889622
Reduced:	FINSO3H13C18 (1)
Stoich.:	ABCDE3F13G18 (1)
Weight, g/mol:	453.06017
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	5.06
IP(EA), eV:	-9.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)I

DOS

IR

Vibrations