Geometry & MOs

Info

ID:	50025
PubChem CID:	11538852
Reduced:	ClSN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	413.212201
ΔH_f, kcal/mol:	-141.86
Dipole, Da:	3.19
IP(EA), eV:	-9.29(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(5-phenylpyridine-3-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations