Geometry & MOs

Info

ID:

434719

PubChem CID:

135175580

Reduced:

N3O3F5C24H32 (1)

Stoich.:

A3B3C5D24E32 (1)

Weight, g/mol:

679.208312

ΔHf, kcal/mol:

-396.02

Dipole, Da:

3.32

IP(EA), eV:

 -9.5(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(2-amino-7-azabicyclo[2.2.1]heptan-7-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)[C@@H](C(C2=CC=C(C=C2)C3(CC3)C(F)(F)F)(F)F)NC

DOS

IR

Vibrations