Geometry & MOs

Info

ID:

429628

PubChem CID:

135169677

Reduced:

OF4N8H18C25 (1)

Stoich.:

AB4C8D18E25 (1)

Weight, g/mol:

484.104163

ΔHf, kcal/mol:

-18.39

Dipole, Da:

6.78

IP(EA), eV:

 -9.06(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-methyl-1,3-benzothiazol-4-yl)-N-[5-methyl-6-(triazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C(\C1=NN(C=C1)C)/N=C)\C#N)/NC(=O)C2=C(N(N=C2)C3=C4C=CC=NC4=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations