Geometry & MOs

Info

ID:	63826
PubChem CID:	26759268
Reduced:	NF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	381.118793
ΔH_f, kcal/mol:	-270.06
Dipole, Da:	0.66
IP(EA), eV:	-8.55(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CC2=CC(=CC=C2)C(F)(F)F)C

DOS

IR

Vibrations