Geometry & MOs

Info

ID:

427060

PubChem CID:

135155264

Reduced:

ON3C12H14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

641.273499

ΔHf, kcal/mol:

-13.61

Dipole, Da:

5.74

IP(EA), eV:

 -8.06(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-(4-phenoxyphenyl)propan-2-yl]-4-(cyclohexylmethoxy)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC2=CC=C(C=C2)N)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C

DOS

IR

Vibrations