Geometry & MOs

Info

ID:

434643

PubChem CID:

135175397

Reduced:

ClSF2N3O4C36H42 (1)

Stoich.:

ABC2D3E4F36G42 (1)

Weight, g/mol:

655.18573

ΔHf, kcal/mol:

-235.68

Dipole, Da:

7.68

IP(EA), eV:

 -9.19(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-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

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3C4CCC(C3CC4)CN)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations