Geometry & MOs

Info

ID:

434646

PubChem CID:

135175400

Reduced:

NF2O2H11C13 (2)

Stoich.:

AB2C2D11E13 (2)

Weight, g/mol:

655.18573

ΔHf, kcal/mol:

-287.33

Dipole, Da:

2.45

IP(EA), eV:

 -8.98(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-2-(6-cyclopentyloxynaphthalen-2-yl)-2-hydroxyacetamide

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=C(C=C(C=C4)C(F)(F)F)F)C(=O)OC

DOS

IR

Vibrations