Geometry & MOs

Info

ID:

400823

PubChem CID:

135049171

Reduced:

BS2N4O9H29C31 (1)

Stoich.:

AB2C4D9E29F31 (1)

Weight, g/mol:

614.208045

ΔHf, kcal/mol:

-163.34

Dipole, Da:

2.52

IP(EA), eV:

 -9.55(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-2-[(E)-pent-2-en-3-yl]oxy-4,5-diphenyl-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations