Geometry & MOs

Info

ID:	83872
PubChem CID:	49862073
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	488.285049
ΔH_f, kcal/mol:	-58.53
Dipole, Da:	7.52
IP(EA), eV:	-9.67(-0.33)
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-(1-hydroxy-2-methylpropan-2-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1CC2=C(C1)NN=C2C(=O)O

DOS

IR

Vibrations