Geometry & MOs

Info

ID:	195914
PubChem CID:	78748657
Reduced:	NSO5C22H23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	359.116901
ΔH_f, kcal/mol:	-151.11
Dipole, Da:	3.85
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C=CC3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations