Geometry & MOs

Info

ID:

424438

PubChem CID:

135122689

Reduced:

SO2F3N6H25C27 (1)

Stoich.:

AB2C3D6E25F27 (1)

Weight, g/mol:

585.176993

ΔHf, kcal/mol:

-102.44

Dipole, Da:

3.99

IP(EA), eV:

 -8.8(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-N-methyl-N-[2-[N-methyl-4-(trifluoromethoxy)anilino]pyrimidin-5-yl]-2-[(Z)-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]hydrazinylidene]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N\2C(=O)CS/C2=N\N=C\C(=C\C3=CN=C(N=C3)NC4=CC=C(C=C4)OC(F)(F)F)\C

DOS

IR

Vibrations