Geometry & MOs

Info

ID:

400879

PubChem CID:

135049319

Reduced:

BN2S2O6F12H31C42 (1)

Stoich.:

AB2C2D6E12F31G42 (1)

Weight, g/mol:

398.220557

ΔHf, kcal/mol:

-795.12

Dipole, Da:

3.7

IP(EA), eV:

 -9.31(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N'-bis[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanediamide

Drug info:

PubChemData

Smile

B1(N([C@H]([C@@H](N1S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O/C(=C/C)/OC/C=C/C6=CC=CC=C6

DOS

IR

Vibrations