Geometry & MOs

Info

ID:

434636

PubChem CID:

135175377

Reduced:

BrSF2N3O6C40H44 (1)

Stoich.:

ABC2D3E6F40G44 (1)

Weight, g/mol:

711.1578

ΔHf, kcal/mol:

-317.96

Dipole, Da:

6.33

IP(EA), eV:

 -9.19(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(6-bromonaphthalen-2-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC4=C(C=C3)C=C(C=C4)Br)(F)F)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations