Geometry & MOs

Info

ID:

80587

PubChem CID:

49835320

Reduced:

SCl2N2O4C17H18 (1)

Stoich.:

AB2C2D4E17F18 (1)

Weight, g/mol:

496.139211

ΔHf, kcal/mol:

-109.61

Dipole, Da:

4.63

IP(EA), eV:

 -10.23(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@H]1C[C@H](C[C@@H]1C(=O)NC2(CC2)C#N)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations