Geometry & MOs

Info

ID:

434652

PubChem CID:

135175410

Reduced:

ClSF2N3O7C37H44 (1)

Stoich.:

ABC2D3E7F37G44 (1)

Weight, g/mol:

625.218876

ΔHf, kcal/mol:

-361.24

Dipole, Da:

8.41

IP(EA), eV:

 -9.11(-1.1)

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-chloro-3-methoxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC(=C(C=C2)Cl)OC3CC3)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations