Geometry & MOs

Info

ID:	86634
PubChem CID:	49887915
Reduced:	ClNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	453.06017
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	2.29
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations