Geometry & MOs

Info

ID:

424467

PubChem CID:

135122797

Reduced:

OF3N4C13H13 (1)

Stoich.:

AB3C4D13E13 (1)

Weight, g/mol:

584.21813

ΔHf, kcal/mol:

-127.58

Dipole, Da:

5.16

IP(EA), eV:

 -8.33(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(Z)-[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

CNC1=CN=C(N=C1)N(C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations