Geometry & MOs

Info

ID:	153859
PubChem CID:	56313188
Reduced:	FSN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	406.132885
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	2.89
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]acetate

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CS4

DOS

IR

Vibrations