Geometry & MOs

Info

ID:

434642

PubChem CID:

135175395

Reduced:

ClSF2N3O4C35H40 (1)

Stoich.:

ABC2D3E4F35G40 (1)

Weight, g/mol:

685.255262

ΔHf, kcal/mol:

-227.29

Dipole, Da:

5.43

IP(EA), eV:

 -9.47(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-[2-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)NC(C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations