Geometry & MOs

Info

ID:

449214

PubChem CID:

135296891

Reduced:

ClF3O3N5H23C28 (1)

Stoich.:

AB3C3D5E23F28 (1)

Weight, g/mol:

450.215472

ΔHf, kcal/mol:

-164.06

Dipole, Da:

6.33

IP(EA), eV:

 -8.9(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-10-(methoxymethyl)-9-(3-methoxy-3-methylbut-1-ynyl)-3,3-dimethyl-15-oxo-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7(12),8,10,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C2=NC=C(C=C2)C3=CC4=C(C(=CN=C4C=C3)Cl)N[C@@H](C5=CC=CC=C5F)C(F)F)CC(=O)O

DOS

IR

Vibrations