Geometry & MOs

Info

ID:	81944
PubChem CID:	49855380
Reduced:	BClN2O4C16H24 (1)
Stoich.:	ABC2D4E16F24 (1)
Weight, g/mol:	418.157913
ΔH_f, kcal/mol:	-265.15
Dipole, Da:	2.7
IP(EA), eV:	-9.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-chlorophenyl)-3-(pyrazine-2-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)C)(O)O

DOS

IR

Vibrations