Geometry & MOs

Info

ID:

424447

PubChem CID:

135122706

Reduced:

SF3N4O5C30H37 (1)

Stoich.:

AB3C4D5E30F37 (1)

Weight, g/mol:

582.20248

ΔHf, kcal/mol:

-315.34

Dipole, Da:

6.36

IP(EA), eV:

 -9.41(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(Z)-[(E)-2-methyl-3-[4-methyl-2-[N-methyl-4-(trifluoromethoxy)anilino]pyrimidin-5-yl]prop-2-enylidene]hydrazinylidene]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCN1C=C(N=N1)CO[C@H](C2=CC(=C(C=C2)C)CN3C[C@H](CC4=C(S3(=O)=O)C=C(C=C4)C(F)(F)F)C)C(C)(C)C(=O)O

DOS

IR

Vibrations