Geometry & MOs

Info

ID:

400824

PubChem CID:

135049172

Reduced:

BN2S2O5C33H35 (1)

Stoich.:

AB2C2D5E33F35 (1)

Weight, g/mol:

694.180116

ΔHf, kcal/mol:

-181.81

Dipole, Da:

8.74

IP(EA), eV:

 -8.8(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-diphenyl-2-[(Z)-1-phenylsulfanylprop-1-enoxy]-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

B1(N([C@@H]([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C)O/C(=C/C)/CC

DOS

IR

Vibrations