Geometry & MOs

Info

ID:

427063

PubChem CID:

135155283

Reduced:

SN3F5O7C35H42 (1)

Stoich.:

AB3C5D7E35F42 (1)

Weight, g/mol:

743.266363

ΔHf, kcal/mol:

-518.42

Dipole, Da:

6.75

IP(EA), eV:

 -8.95(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1-(3-butoxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C([C@H](C(=O)N2CCC(CC2)N)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations