Geometry & MOs

Info

ID:	33057
PubChem CID:	7850505
Reduced:	FSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	401.162708
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	6.38
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC3=CC=CC=C3F

DOS

IR

Vibrations