Geometry & MOs

Info

ID:

427076

PubChem CID:

135155378

Reduced:

BrF2N3O4C31H34 (1)

Stoich.:

AB2C3D4E31F34 (1)

Weight, g/mol:

725.15237

ΔHf, kcal/mol:

-228.25

Dipole, Da:

6.05

IP(EA), eV:

 -8.7(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-2-[[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]amino]-2-oxo-1-(6-propan-2-yloxynaphthalen-2-yl)ethyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)[C@@H](C(=O)N[C@@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F)O

DOS

IR

Vibrations