Geometry & MOs

Info

ID:	244921
PubChem CID:	99431597
Reduced:	ClN2F3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	428.111455
ΔH_f, kcal/mol:	-262.77
Dipole, Da:	8.33
IP(EA), eV:	-9.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2R)-1-oxo-1-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC[C@@](C1=CC=CC=C1)(C(F)(F)F)O)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations