Geometry & MOs

Info

ID:	82218
PubChem CID:	49855770
Reduced:	BClN2O5C19H30 (1)
Stoich.:	ABC2D5E19F30 (1)
Weight, g/mol:	396.22318
ΔH_f, kcal/mol:	-332.96
Dipole, Da:	0.76
IP(EA), eV:	-9.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]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)OC(C)(C)C)(O)O

DOS

IR

Vibrations