Geometry & MOs

Info

ID:	82216
PubChem CID:	49855768
Reduced:	BFN2O4C25H32 (1)
Stoich.:	ABC2D4E25F32 (1)
Weight, g/mol:	402.187464
ΔH_f, kcal/mol:	-292.22
Dipole, Da:	2.09
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-fluorophenyl)-3-(pyrazine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)F)NC(=O)C2=CC=CC3=C2CCCC3)(O)O

DOS

IR

Vibrations