Geometry & MOs

Info

ID:

434713

PubChem CID:

135175570

Reduced:

ClF2N3O4C37H38 (1)

Stoich.:

AB2C3D4E37F38 (1)

Weight, g/mol:

661.251891

ΔHf, kcal/mol:

-212.69

Dipole, Da:

5.6

IP(EA), eV:

 -8.74(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2R)-3-(4-aminopiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-2-(6-cyclopentyloxynaphthalen-2-yl)-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)[C@@H](C(=O)N[C@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)O

DOS

IR

Vibrations