Geometry & MOs

Info

ID:

429529

PubChem CID:

135169578

Reduced:

OSF3N9H16C22 (1)

Stoich.:

ABC3D9E16F22 (1)

Weight, g/mol:

502.124419

ΔHf, kcal/mol:

51.18

Dipole, Da:

6.98

IP(EA), eV:

 -8.99(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(6-amino-5-ethenyl-4-methylpyridin-3-yl)-N-[5-chloro-2-methyl-4-(triazol-2-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=CN=C12)N3C(=C(C=N3)C(=O)N/C(=C/C(=C(\N=C)/N4N=CC=N4)/C#N)/C)C(F)(F)F

DOS

IR

Vibrations