Geometry & MOs

Info

ID:	167014
PubChem CID:	74765784
Reduced:	BSF2N3O4C21H28 (1)
Stoich.:	ABC2D3E4F21G28 (1)
Weight, g/mol:	190.112487
ΔH_f, kcal/mol:	-311.59
Dipole, Da:	7.92
IP(EA), eV:	-8.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)C1=CC=CC2=C1C=C(C=C2F)F)(O)O

DOS

IR

Vibrations