Geometry & MOs

Info

ID:	170197
PubChem CID:	75206051
Reduced:	ClON6H21C26 (1)
Stoich.:	ABC6D21E26 (1)
Weight, g/mol:	343.104228
ΔH_f, kcal/mol:	131.37
Dipole, Da:	3.6
IP(EA), eV:	-8.96(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-(2-prop-2-enylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NCC3=NN=C4N3C=CC=C4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations