Geometry & MOs

Info

ID:	244891
PubChem CID:	99431547
Reduced:	NF3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	394.150427
ΔH_f, kcal/mol:	-219.78
Dipole, Da:	5.44
IP(EA), eV:	-9.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)NCC[C@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations