Geometry & MOs

Info

ID:

409959

PubChem CID:

135082746

Reduced:

BNSF3O5C25H25 (1)

Stoich.:

ABCD3E5F25G25 (1)

Weight, g/mol:

706.177728

ΔHf, kcal/mol:

-344.81

Dipole, Da:

11.98

IP(EA), eV:

 -9.28(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS)-3,3-bis(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

Drug info:

PubChemData

Smile

B1(N2CCC[C@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5OC.C(F)(F)(F)S(=O)(=O)O

DOS

IR

Vibrations