Geometry & MOs

Info

ID:

429603

PubChem CID:

135169652

Reduced:

O2F3N9H14C22 (1)

Stoich.:

A2B3C9D14E22 (1)

Weight, g/mol:

485.134256

ΔHf, kcal/mol:

-18.6

Dipole, Da:

4.43

IP(EA), eV:

 -8.65(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-3-N-[5-chloro-6-(3-iminopropanimidoyl)pyridin-3-yl]-2-[N-quinolin-5-yl-C-(trifluoromethyl)carbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CNC5=O)C(F)(F)F)C#N

DOS

IR

Vibrations