Geometry & MOs

Info

ID:	82084
PubChem CID:	49855577
Reduced:	BN2O5C26H35 (1)
Stoich.:	AB2C5D26E35 (1)
Weight, g/mol:	338.181316
ΔH_f, kcal/mol:	-282.18
Dipole, Da:	4.72
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-acetamido-3-(3-fluorophenyl)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)[C@H]2CCCC3=CC=CC=C23)(O)O

DOS

IR

Vibrations