Geometry & MOs

Info

ID:	83360
PubChem CID:	49857494
Reduced:	BN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	397.217287
ΔH_f, kcal/mol:	-221.74
Dipole, Da:	3.95
IP(EA), eV:	-9.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methyl-1-[[3-(3-methylphenyl)-3-(pyridine-3-carbonylamino)propanoyl]amino]butyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC=CC=C1C)NC(=O)C2=CN=CC=C2)(O)O

DOS

IR

Vibrations