Geometry & MOs

Info

ID:

434653

PubChem CID:

135175412

Reduced:

ClSF2N3O5C30H38 (1)

Stoich.:

ABC2D3E5F30G38 (1)

Weight, g/mol:

625.218876

ΔHf, kcal/mol:

-294.47

Dipole, Da:

6.61

IP(EA), eV:

 -9.06(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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

COC1=C(C=CC(=C1)C([C@@H](C(=O)N2C3CCC2CC(C3)N)NS(=O)(=O)C4=CC=C(C=C4)OCC5CCCCC5)(F)F)Cl

DOS

IR

Vibrations