Geometry & MOs

Info

ID:	86990
PubChem CID:	49890374
Reduced:	ClNS2O5H10C16 (1)
Stoich.:	ABC2D5E10F16 (1)
Weight, g/mol:	456.115521
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	4.59
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations