Geometry & MOs

Info

ID:

434777

PubChem CID:

135175696

Reduced:

ClSF3N3O4C35H35 (1)

Stoich.:

ABC3D3E4F35G35 (1)

Weight, g/mol:

685.19889

ΔHf, kcal/mol:

-249.63

Dipole, Da:

7.34

IP(EA), eV:

 -9.25(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4CCC(C(C4)F)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations