Geometry & MOs

Info

ID:

409679

PubChem CID:

135082462

Reduced:

BClNO5C47H55 (1)

Stoich.:

ABCD5E47F55 (1)

Weight, g/mol:

299.190812

ΔHf, kcal/mol:

-202.55

Dipole, Da:

5.7

IP(EA), eV:

 -8.7(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,5,5-tetramethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,2,5-azadisilolidine

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@@H](CC#N)[C@H](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=C(C=C7)OC)Cl

DOS

IR

Vibrations