Geometry & MOs

Info

ID:

422731

PubChem CID:

135118313

Reduced:

SO3N6C12H18 (1)

Stoich.:

AB3C6D12E18 (1)

Weight, g/mol:

602.332902

ΔHf, kcal/mol:

-56.64

Dipole, Da:

7.91

IP(EA), eV:

 -9.25(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-2-(3-methylbutanoyl)-14-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)-6-(2-pyridin-3-ylacetyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC2=NC=C(C(=N2)N)C#N

DOS

IR

Vibrations