Geometry & MOs

Info

ID:	268073
PubChem CID:	103597689
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	311.099143
ΔH_f, kcal/mol:	56.25
Dipole, Da:	3.21
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations