Geometry & MOs

Info

ID:

378478

PubChem CID:

134224561

Reduced:

O3N4F5C21H23 (1)

Stoich.:

A3B4C5D21E23 (1)

Weight, g/mol:

426.217952

ΔHf, kcal/mol:

-337.39

Dipole, Da:

4.43

IP(EA), eV:

 -9.38(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-9-fluoro-7,15,15-trimethyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),9,11,19(26),20,23-hexaen-18-one

Drug info:

PubChemData

Smile

COC(=O)N1CCC2=C(C1)NN=C2C(N3CCC(CC3)C4=C(C(=CC(=C4)F)F)C(F)(F)F)O

DOS

IR

Vibrations