Geometry & MOs

Info

ID:

80588

PubChem CID:

49835323

Reduced:

SF3N4O4C22H23 (1)

Stoich.:

AB3C4D4E22F23 (1)

Weight, g/mol:

496.139211

ΔHf, kcal/mol:

-212.2

Dipole, Da:

9.07

IP(EA), eV:

 -9.56(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(C=C2)S(=O)(=O)[C@@H]3C[C@H]([C@@H](C3)OC)C(=O)NC4(CC4)C#N)C(F)(F)F

DOS

IR

Vibrations