Geometry & MOs

Info

ID:

233233

PubChem CID:

89449390

Reduced:

SF3N3O3C23H28 (1)

Stoich.:

AB3C3D3E23F28 (1)

Weight, g/mol:

550.183716

ΔHf, kcal/mol:

-255.38

Dipole, Da:

8.45

IP(EA), eV:

 -9.04(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-4-[(1-methyl-2-oxopiperidin-3-yl)amino]-5-[[1-[(2E,4E)-6,6,6-trifluoro-2-(3,3,3-trifluoroprop-1-en-2-yl)hexa-2,4-dienyl]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]4COCC[C@H]4O)C(F)(F)F

DOS

IR

Vibrations