Geometry & MOs

Info

ID:	82967
PubChem CID:	49856904
Reduced:	BN2O5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	427.191466
ΔH_f, kcal/mol:	-265.11
Dipole, Da:	3.94
IP(EA), eV:	-9.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(2-nitrophenyl)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations