Geometry & MOs

Info

ID:	87759
PubChem CID:	49897094
Reduced:	ClSN4O4H17C24 (1)
Stoich.:	ABC4D4E17F24 (1)
Weight, g/mol:	406.059898
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	12.33
IP(EA), eV:	-8.77(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C/C(=N/NC4=CC=CC=C4Cl)/C=CC3=O)/SC2=O

DOS

IR

Vibrations