Geometry & MOs

Info

ID:	81943
PubChem CID:	49855379
Reduced:	BFN3O5C24H25 (1)
Stoich.:	ABC3D5E24F25 (1)
Weight, g/mol:	354.151765
ΔH_f, kcal/mol:	-259.64
Dipole, Da:	5.9
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-acetamido-3-(3-chlorophenyl)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations