Geometry & MOs

Info

ID:

429904

PubChem CID:

135169958

Reduced:

ClOSF3N8H16C19 (1)

Stoich.:

ABCD3E8F16G19 (1)

Weight, g/mol:

494.215427

ΔHf, kcal/mol:

-11.35

Dipole, Da:

8.35

IP(EA), eV:

 -8.19(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[1-[3-ethenyl-2-[(Z)-2-(methylamino)ethenyl]phenyl]-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2,5-dimethyl-6-(triazol-2-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC=N2)N=C(/C(=C\N)/C(=O)N=C(/C=C(\C=N)/Cl)/C=N\N/C=C\N)C(F)(F)F

DOS

IR

Vibrations