Geometry & MOs

Info

ID:

226763

PubChem CID:

87558170

Reduced:

FO2N4S4C17H19 (1)

Stoich.:

AB2C4D4E17F19 (1)

Weight, g/mol:

519.137437

ΔHf, kcal/mol:

-45.31

Dipole, Da:

3.93

IP(EA), eV:

 -8.57(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanethione

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CS/C(=N/SC2=C(C=C(C=C2)F)CSC(=N)N)/N

DOS

IR

Vibrations