Geometry & MOs

Info

ID:	87748
PubChem CID:	49897013
Reduced:	ClFSN2O5H20C26 (1)
Stoich.:	ABCD2E5F20G26 (1)
Weight, g/mol:	530.187543
ΔH_f, kcal/mol:	-154.87
Dipole, Da:	2.91
IP(EA), eV:	-8.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations