Geometry & MOs

Info

ID:	83518
PubChem CID:	49857690
Reduced:	BFN2O4C25H26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	452.171894
ΔH_f, kcal/mol:	-240.28
Dipole, Da:	1.11
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(3-fluorophenyl)propanoyl]amino]-2-(4-fluorophenyl)ethyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CC1=CC=CC(=C1)C)NC(=O)CC(C2=CC(=CC=C2)F)NC(=O)C3=CC=CC=C3)(O)O

DOS

IR

Vibrations