Geometry & MOs

Info

ID:	84482
PubChem CID:	49866754
Reduced:	NO2S2C8H15 (1)
Stoich.:	AB2C2D8E15 (1)
Weight, g/mol:	584.301745
ΔH_f, kcal/mol:	-106.94
Dipole, Da:	3.86
IP(EA), eV:	-9.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-isoquinolin-1-yloxypyrrolidine-2-carbonyl]amino]-3-hydroxypropyl]boronic acid

Drug info:

PubChemData

Smile

C1CCC(C1)SSC[C@@H](C(=O)O)N

DOS

IR

Vibrations