Geometry & MOs

Info

ID:

449345

PubChem CID:

135297823

Reduced:

F2O2N5H23C26 (1)

Stoich.:

A2B2C5D23E26 (1)

Weight, g/mol:

517.11733

ΔHf, kcal/mol:

-24.56

Dipole, Da:

6.1

IP(EA), eV:

 -9.67(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[6-[(1S,8R)-5-(2,6-difluorophenyl)-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl]pyrazin-2-yl]-1,3-oxazol-4-yl]-2,2,2-trifluoroethane-1,1-diol

Drug info:

PubChemData

Smile

CC[C@](C)(C1=COC(=N1)C2=CN=CC(=N2)[C@]34CC[C@H](C3)C5=CC(=NN=C45)C6=C(C=CC=C6F)F)O

DOS

IR

Vibrations