Geometry & MOs

Info

ID:	70144
PubChem CID:	47208136
Reduced:	ClSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	288.072177
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	3.45
IP(EA), eV:	-9.23(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl 3-(2-oxoimidazolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)OCC2=NC=C(N2C)Cl

DOS

IR

Vibrations