Geometry & MOs

Info

ID:	83359
PubChem CID:	49857492
Reduced:	BN4O6C20H25 (1)
Stoich.:	AB4C6D20E25 (1)
Weight, g/mol:	397.217287
ΔH_f, kcal/mol:	-216.78
Dipole, Da:	11.76
IP(EA), eV:	-10.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methyl-1-[[3-(2-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=C1)[N+](=O)[O-])NC(=O)C2=CN=CC=C2)(O)O

DOS

IR

Vibrations