Geometry & MOs

Info

ID:	83361
PubChem CID:	49857495
Reduced:	BN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	400.196966
ΔH_f, kcal/mol:	-222.84
Dipole, Da:	4.57
IP(EA), eV:	-9.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations