Geometry & MOs

Info

ID:	82217
PubChem CID:	49855769
Reduced:	BFN4O4C19H24 (1)
Stoich.:	ABC4D4E19F24 (1)
Weight, g/mol:	412.19363
ΔH_f, kcal/mol:	-243.76
Dipole, Da:	0.91
IP(EA), eV:	-9.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]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=NC=CN=C2)(O)O

DOS

IR

Vibrations