Geometry & MOs

Info

ID:	402210
PubChem CID:	135054964
Reduced:	FNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	2.06
IP(EA), eV:	-9.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-acetamido-2-(4-methylphenyl)propan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@]1(COC(=N1)C2=CC=C(C=C2)F)CC3=CC=CC=C3

DOS

IR

Vibrations