Geometry & MOs

Info

ID:	63818
PubChem CID:	26759252
Reduced:	N2F3O4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	386.070126
ΔH_f, kcal/mol:	-281.17
Dipole, Da:	1.77
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations