Geometry & MOs

Info

ID:

434565

PubChem CID:

135175237

Reduced:

BrSF2N3O6C37H44 (1)

Stoich.:

ABC2D3E6F37G44 (1)

Weight, g/mol:

675.1578

ΔHf, kcal/mol:

-326.01

Dipole, Da:

2.66

IP(EA), eV:

 -8.77(-0.74)

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-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)Br)(F)F)N(C)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations