Geometry & MOs

Info

ID:	83516
PubChem CID:	49857687
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	452.171894
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	1.87
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(3-fluorophenyl)propanoyl]amino]-2-(2-fluorophenyl)ethyl]boronic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations