Geometry & MOs

Info

ID:	87705
PubChem CID:	49896669
Reduced:	FSN2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	445.99359
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.44
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC=C4F)/SC2=O

DOS

IR

Vibrations