Geometry & MOs

Info

ID:	83889
PubChem CID:	49862232
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	498.269399
ΔH_f, kcal/mol:	3.41
Dipole, Da:	7.32
IP(EA), eV:	-9.13(-0.24)
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-(2-oxocyclopentyl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC/C(=N\OC(=O)NC2=CC=CC=C2)/C(C1)CN3C=CN=C3

DOS

IR

Vibrations