Geometry & MOs

Info

ID:	178618
PubChem CID:	76357017
Reduced:	FSO3N4C20H27 (1)
Stoich.:	ABC3D4E20F27 (1)
Weight, g/mol:	400.179835
ΔH_f, kcal/mol:	-159.12
Dipole, Da:	9.62
IP(EA), eV:	-8.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCCCC3C4C(CS3)NC(=O)N4)F

DOS

IR

Vibrations