Geometry & MOs

Info

ID:	86931
PubChem CID:	49890035
Reduced:	FNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	456.115521
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	7.2
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1OC)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations