Geometry & MOs

Info

ID:

442025

PubChem CID:

135248053

Reduced:

FSN5H28C29 (1)

Stoich.:

ABC5D28E29 (1)

Weight, g/mol:

493.23116

ΔHf, kcal/mol:

100.97

Dipole, Da:

1.45

IP(EA), eV:

 -8.21(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-cyano-3-methylphenyl)methyl]-5-[1-(3-fluoro-3-methylazetidin-1-yl)ethenyl]-N-methyl-3-(piperidin-1-ylmethylideneamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C=C1C2=C(C=C(S2)C(=C)NCC3=CC=CC=C3F)N=C(N1CC4=CC=CC=C4C#N)N5CCCCC5

DOS

IR

Vibrations