Geometry & MOs

Info

ID:	81942
PubChem CID:	49855378
Reduced:	BN3O5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	465.187129
ΔH_f, kcal/mol:	-221.1
Dipole, Da:	6.42
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B([C@H](CC1=CC=C(C=C1)C)NC(=O)CC(C2=CC(=CC=C2)OC)NC(=O)C3=CN=CC=C3)(O)O

DOS

IR

Vibrations