Geometry & MOs

Info

ID:

427096

PubChem CID:

135155476

Reduced:

N3O3C22H29 (1)

Stoich.:

A3B3C22D29 (1)

Weight, g/mol:

705.169875

ΔHf, kcal/mol:

-57.03

Dipole, Da:

3.91

IP(EA), eV:

 -8.16(-0.69)

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-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C3=C(COC3)C(=NC2=C1)NC4CC4)OCCCN5CCCC5

DOS

IR

Vibrations