Geometry & MOs

Info

ID:	82219
PubChem CID:	49855771
Reduced:	BFN2O5C19H30 (1)
Stoich.:	ABC2D5E19F30 (1)
Weight, g/mol:	406.243916
ΔH_f, kcal/mol:	-371.0
Dipole, Da:	0.92
IP(EA), eV:	-9.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(cyclohexanecarbonylamino)-3-(3-fluorophenyl)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)OC(C)(C)C)(O)O

DOS

IR

Vibrations