Geometry & MOs

Info

ID:	63854
PubChem CID:	26759326
Reduced:	NF3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	408.129692
ΔH_f, kcal/mol:	-260.94
Dipole, Da:	3.83
IP(EA), eV:	-8.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations