Geometry & MOs

Info

ID:	154748
PubChem CID:	56314264
Reduced:	SF3N3O3C20H24 (1)
Stoich.:	AB3C3D3E20F24 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-227.66
Dipole, Da:	1.61
IP(EA), eV:	-8.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCN(CC2)C3=NC=CS3)OCC(F)(F)F

DOS

IR

Vibrations