Geometry & MOs

Info

ID:	43981
PubChem CID:	10322697
Reduced:	Br3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	475.285366
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	2.38
IP(EA), eV:	-10.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S)-4-methyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3-propan-2-ylpyrrolidin-1-yl]pentanoyl]amino]propylboronic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CC2[C@H](C([C@H]2CBr)CC(C1=O)Br)CBr

DOS

IR

Vibrations