Geometry & MOs

Info

ID:

423751

PubChem CID:

135120156

Reduced:

NO4C19H27 (1)

Stoich.:

AB4C19D27 (1)

Weight, g/mol:

673.327562

ΔHf, kcal/mol:

-162.83

Dipole, Da:

5.08

IP(EA), eV:

 -8.91(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(4-fluoro-3-hydroxybenzoyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations