Geometry & MOs

Info

ID:

437358

PubChem CID:

135226167

Reduced:

F2O3C18H28 (1)

Stoich.:

A2B3C18D28 (1)

Weight, g/mol:

486.418529

ΔHf, kcal/mol:

-261.25

Dipole, Da:

1.07

IP(EA), eV:

 -9.81(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,3aS,6aS)-1-tert-butyl-6-[3-[(1S,3S,5S)-2-tert-butyl-2-azabicyclo[3.1.0]hexan-3-yl]-2,2-dimethyl-3-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CCC(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)C)O)O)(F)F

DOS

IR

Vibrations