Geometry & MOs

Info

ID:

233234

PubChem CID:

89449391

Reduced:

SO2N4F6C24H28 (1)

Stoich.:

AB2C4D6E24F28 (1)

Weight, g/mol:

517.182239

ΔHf, kcal/mol:

-348.11

Dipole, Da:

7.79

IP(EA), eV:

 -9.19(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-4-[[(1R,2R)-5,5-difluoro-2-hydroxycyclohexyl]amino]-5-[[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylidene]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CN1CCCC(C1=O)NC\2=NC(=O)S/C2=C\C3CCN(CC3)C/C(=C/C=C/C(F)(F)F)/C(=C)C(F)(F)F

DOS

IR

Vibrations