Geometry & MOs

Info

ID:	87762
PubChem CID:	49897113
Reduced:	SN2F3O3H13C19 (1)
Stoich.:	AB2C3D3E13F19 (1)
Weight, g/mol:	542.00085
ΔH_f, kcal/mol:	-211.68
Dipole, Da:	5.41
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3C(F)(F)F)/SC2=O

DOS

IR

Vibrations