Geometry & MOs

Info

ID:

318818

PubChem CID:

126653458

Reduced:

SO2F5N6C27H27 (1)

Stoich.:

AB2C5D6E27F27 (1)

Weight, g/mol:

530.17118

ΔHf, kcal/mol:

-259.82

Dipole, Da:

2.94

IP(EA), eV:

 -8.82(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-3-[4-[1-(4,4,4-trifluorobutyl)-1,2,4-triazol-3-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(=O)NC3=CC=C(C=C3)C4=NN(C=N4)CCCC(C(F)(F)F)(F)F

DOS

IR

Vibrations