Geometry & MOs

Info

ID:	81941
PubChem CID:	49855376
Reduced:	NF3O5H24C26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	461.212201
ΔH_f, kcal/mol:	-270.27
Dipole, Da:	8.09
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-(3-methoxyphenyl)-3-(pyridine-3-carbonylamino)propanoyl]amino]-2-(4-methylphenyl)ethyl]boronic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations