Geometry & MOs

Info

ID:	147923
PubChem CID:	53787583
Reduced:	SN2O2F3H13C15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-173.13
Dipole, Da:	3.49
IP(EA), eV:	-8.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(methylsulfonylmethylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N(C(=C2S1)O)C3=CC=CC(=C3)C(F)(F)F)O

DOS

IR

Vibrations