Geometry & MOs

Info

ID:

400886

PubChem CID:

135049343

Reduced:

BN2S2O6F12H29C40 (1)

Stoich.:

AB2C2D6E12F29G40 (1)

Weight, g/mol:

374.299225

ΔHf, kcal/mol:

-805.49

Dipole, Da:

2.92

IP(EA), eV:

 -9.33(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dibutyl-[(4S)-4-[(4-methoxyphenyl)methoxy]-5-methylhex-1-en-2-yl]oxyborane

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)/OCC6=CC=CC=C6

DOS

IR

Vibrations