Geometry & MOs

Info

ID:	83213
PubChem CID:	49857289
Reduced:	N5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	417.162664
ΔH_f, kcal/mol:	99.15
Dipole, Da:	0.96
IP(EA), eV:	-8.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(2-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3

DOS

IR

Vibrations