Geometry & MOs

Info

ID:

403083

PubChem CID:

135058662

Reduced:

BNSO6C21H26 (1)

Stoich.:

ABCD6E21F26 (1)

Weight, g/mol:

430.149564

ΔHf, kcal/mol:

-309.22

Dipole, Da:

5.98

IP(EA), eV:

 -8.47(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(4,4,4',5,5-pentamethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,2'-3-oxa-5-aza-2-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraene]-9'-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

[B-]12(C3=C(C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)C)[NH+]=C(O1)C)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations