Geometry & MOs

Info

ID:

409961

PubChem CID:

135082748

Reduced:

BNO2C28H32 (1)

Stoich.:

ABC2D28E32 (1)

Weight, g/mol:

698.03826

ΔHf, kcal/mol:

-98.49

Dipole, Da:

4.04

IP(EA), eV:

 -8.51(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;palladium(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

B1(N2CCC[C@H]2C(O1)(C3=CC(=CC(=C3)C)C)C4=CC(=CC(=C4)C)C)C5=CC=CC=C5OC

DOS

IR

Vibrations