Geometry & MOs

Info

ID:

429528

PubChem CID:

135169577

Reduced:

O2F3N9H14C20 (1)

Stoich.:

A2B3C9D14E20 (1)

Weight, g/mol:

511.115062

ΔHf, kcal/mol:

-18.26

Dipole, Da:

9.8

IP(EA), eV:

 -8.66(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E,4Z)-4-cyano-5-(methylideneamino)-5-(triazol-2-yl)penta-2,4-dien-2-yl]-1-(3-methylthieno[3,2-b]pyridin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=C4C(=CC=C3)OC=N4)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations