Geometry & MOs

Info

ID:

424468

PubChem CID:

135122800

Reduced:

SO2F3N6C29H31 (1)

Stoich.:

AB2C3D6E29F31 (1)

Weight, g/mol:

584.21813

ΔHf, kcal/mol:

-131.62

Dipole, Da:

4.33

IP(EA), eV:

 -8.81(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1CC(C)/C=N\N=C/2\N(C(=O)CS2)C3=CC=CC=C3C(C)C)N(C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations