Geometry & MOs

Info

ID:	83215
PubChem CID:	49857292
Reduced:	BClN3O4C20H25 (1)
Stoich.:	ABC3D4E20F25 (1)
Weight, g/mol:	413.212201
ΔH_f, kcal/mol:	-222.4
Dipole, Da:	2.93
IP(EA), eV:	-9.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)Cl)NC(=O)C2=CN=CC=C2)(O)O

DOS

IR

Vibrations