Geometry & MOs

Info

ID:	270062
PubChem CID:	103624741
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	285.118793
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	3.46
IP(EA), eV:	-9.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetate

Drug info:

PubChemData

Smile

CCCN(CC#N)C(=O)C1=C(N=C(S1)C)C

DOS

IR

Vibrations