Geometry & MOs

Info

ID:

407234

PubChem CID:

135079626

Reduced:

BO5C38H43 (1)

Stoich.:

AB5C38D43 (1)

Weight, g/mol:

375.16756

ΔHf, kcal/mol:

-170.16

Dipole, Da:

3.92

IP(EA), eV:

 -9.37(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-N-prop-2-ynyl-N-[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)/C=C/[C@@H](CCCCC)O

DOS

IR

Vibrations