Geometry & MOs

Info

ID:

425467

PubChem CID:

135126422

Reduced:

O2F3N6H21C28 (1)

Stoich.:

A2B3C6D21E28 (1)

Weight, g/mol:

556.150444

ΔHf, kcal/mol:

-40.27

Dipole, Da:

8.58

IP(EA), eV:

 -8.76(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-acetyl-N-[5-[2-[2-methyl-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]ethynyl]-1,3-thiazol-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CC4=C(C=C3)N(C=N4)C5=CN(N=C5)CCO

DOS

IR

Vibrations