Geometry & MOs

Info

ID:	237036
PubChem CID:	92717041
Reduced:	FNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	357.174022
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	2.2
IP(EA), eV:	-9.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-fluorophenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations