Geometry & MOs

Info

ID:

427044

PubChem CID:

135155194

Reduced:

SN3F5O7C35H40 (1)

Stoich.:

AB3C5D7E35F40 (1)

Weight, g/mol:

649.14215

ΔHf, kcal/mol:

-491.0

Dipole, Da:

9.48

IP(EA), eV:

 -8.86(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-[(2S)-butan-2-yl]oxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3CCC(CC3)N)C(C4=CC(=CC=C4)OC5=CC=CC=C5)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations