Geometry & MOs

Info

ID:

309101

PubChem CID:

126537108

Reduced:

ClO2F3N7H33C34 (1)

Stoich.:

AB2C3D7E33F34 (1)

Weight, g/mol:

553.236829

ΔHf, kcal/mol:

-51.95

Dipole, Da:

8.32

IP(EA), eV:

 -7.33(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,10S)-10-[4-[3-chloro-6-(2,3-dihydrotetrazol-1-yl)-2-fluorophenyl]-6-oxo-2,3-dihydropyridin-1-yl]-2,2,6-trimethyl-4,12-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C(CNC1=O)(C)C3=CC=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(NN6)C(F)(F)F

DOS

IR

Vibrations