Geometry & MOs

Info

ID:

434733

PubChem CID:

135175595

Reduced:

SF2N3O6C42H47 (1)

Stoich.:

AB2C3D6E42F47 (1)

Weight, g/mol:

689.17345

ΔHf, kcal/mol:

-310.64

Dipole, Da:

5.7

IP(EA), eV:

 -9.1(-1.07)

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-(6-bromonaphthalen-2-yl)-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations