Geometry & MOs

Info

ID:	208588
PubChem CID:	80549675
Reduced:	FSN2O3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	8.43
IP(EA), eV:	-9.44(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[methyl(pyridin-3-ylmethyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)S(=O)CC2=CC(=NC=C2)C#N)F

DOS

IR

Vibrations