Geometry & MOs

Info

ID:

233227

PubChem CID:

89449370

Reduced:

SO2F3N3C24H30 (1)

Stoich.:

AB2C3D3E24F30 (1)

Weight, g/mol:

481.201083

ΔHf, kcal/mol:

-224.83

Dipole, Da:

8.55

IP(EA), eV:

 -9.09(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC(CC2)/C=C\3/C(=NC(=O)S3)N[C@H]4CCCC[C@@H]4O)C(F)(F)F

DOS

IR

Vibrations