Geometry & MOs

Info

ID:

429730

PubChem CID:

135169781

Reduced:

ClO2F3N8H16C22 (1)

Stoich.:

AB2C3D8E16F22 (1)

Weight, g/mol:

535.06793

ΔHf, kcal/mol:

-70.07

Dipole, Da:

3.3

IP(EA), eV:

 -8.24(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=CC(=C(N1)N2N=CC=N2)Cl)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CNC5=O)C(F)(F)F

DOS

IR

Vibrations