Geometry & MOs

Info

ID:	82966
PubChem CID:	49856901
Reduced:	BClN2O4C21H26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	412.216952
ΔH_f, kcal/mol:	-228.19
Dipole, Da:	2.9
IP(EA), eV:	-9.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(3-methoxyphenyl)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2)(O)O

DOS

IR

Vibrations