Geometry & MOs

Info

ID:	83362
PubChem CID:	49857496
Reduced:	BFN2O4C21H26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	434.181316
ΔH_f, kcal/mol:	-271.29
Dipole, Da:	1.46
IP(EA), eV:	-9.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(3-fluorophenyl)propanoyl]amino]-2-phenylethyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CCCC)NC(=O)CC(C1=CC(=CC=C1)F)NC(=O)C2=CC=CC=C2)(O)O

DOS

IR

Vibrations