Geometry & MOs

Info

ID:

427075

PubChem CID:

135155376

Reduced:

SF2N3O5C37H39 (1)

Stoich.:

AB2C3D5E37F39 (1)

Weight, g/mol:

629.17008

ΔHf, kcal/mol:

-219.0

Dipole, Da:

7.53

IP(EA), eV:

 -9.19(-1.0)

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-hydroxy-2-(6-propan-2-yloxynaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC(=CC=C6)OC7=CC=CC=C7)(F)F

DOS

IR

Vibrations