Geometry & MOs

Info

ID:	83885
PubChem CID:	49862196
Reduced:	F3N4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	486.269399
ΔH_f, kcal/mol:	-70.27
Dipole, Da:	5.35
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(oxolan-2-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations