Geometry & MOs

Info

ID:	87703
PubChem CID:	49896652
Reduced:	SN2O5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	441.99868
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	2.48
IP(EA), eV:	-9.13(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations