Geometry & MOs

Info

ID:	83358
PubChem CID:	49857491
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	428.186715
ΔH_f, kcal/mol:	86.76
Dipole, Da:	1.82
IP(EA), eV:	-7.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methyl-1-[[3-(3-nitrophenyl)-3-(pyridine-3-carbonylamino)propanoyl]amino]butyl]boronic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NCC3=CC=C(C=C3)CNC4=NC=CC=N4

DOS

IR

Vibrations