Geometry & MOs

Info

ID:

434799

PubChem CID:

135175725

Reduced:

ClSF2N4O5C36H37 (1)

Stoich.:

ABC2D4E5F36G37 (1)

Weight, g/mol:

629.229047

ΔHf, kcal/mol:

-204.65

Dipole, Da:

5.34

IP(EA), eV:

 -8.93(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(4-aminopiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(2-cyclopentyloxyethyl)benzenesulfinamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)NC(C(=O)N4CCC(CC4)/C(=N/O)/N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations