Geometry & MOs

Info

ID:

325918

PubChem CID:

126685555

Reduced:

ClSF3O3N5C29H37 (1)

Stoich.:

ABC3D3E5F29G37 (1)

Weight, g/mol:

636.291233

ΔHf, kcal/mol:

-213.4

Dipole, Da:

8.07

IP(EA), eV:

 -9.6(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-propylsulfonylpiperazin-2-yl]ethyl]pyridin-3-yl]-3-(4-propan-2-yloxycyclohexyl)propanamide

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C(CN2)CCC3=C(C=NC=C3NC(=O)[C@H]([C@H](C4CCC(CC4)(F)F)C5=CC=C(C=C5)Cl)N)F)S(=O)(=O)C1

DOS

IR

Vibrations