Geometry & MOs

Info

ID:	37564
PubChem CID:	8022261
Reduced:	ClN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	347.072449
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	7.3
IP(EA), eV:	-9.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)OCC(=O)NCCC#N)Cl

DOS

IR

Vibrations