Geometry & MOs

Info

ID:	376064
PubChem CID:	134222066
Reduced:	ClN2F3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	341.072179
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	4.01
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(4-phenacyloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC(=C(C=C2)CNC3=CC=CC=N3)C)C(F)(F)F

DOS

IR

Vibrations