Geometry & MOs

Info

ID:

409963

PubChem CID:

135082750

Reduced:

ZnCl2N2O10C21H22 (1)

Stoich.:

AB2C2D10E21F22 (1)

Weight, g/mol:

575.212459

ΔHf, kcal/mol:

-69.84

Dipole, Da:

15.11

IP(EA), eV:

 -9.79(-3.26)

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;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C1=N[C@H](CO1)C2=CC=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2]

DOS

IR

Vibrations