Geometry & MOs

Info

ID:

429913

PubChem CID:

135169968

Reduced:

ClO2F3N8H20C23 (1)

Stoich.:

AB2C3D8E20F23 (1)

Weight, g/mol:

515.156054

ΔHf, kcal/mol:

-104.86

Dipole, Da:

2.31

IP(EA), eV:

 -8.06(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-2-[N-[2-[(Z)-2-aminoethenyl]-6-methylpyridin-3-yl]-C-(trifluoromethyl)carbonimidoyl]-3-N-[5-chloro-2-methyl-6-(triazol-2-yl)pyridin-3-yl]penta-1,3,4-triene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1NC(=O)C2=C(N(N=C2)C3=CC=CC4=C3C=CNC4=O)C(F)(F)F)Cl)N(/C=C(/C)\N)N

DOS

IR

Vibrations