Geometry & MOs

Info

ID:	169588
PubChem CID:	75122053
Reduced:	N2F3O5H17C21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	430.093164
ΔH_f, kcal/mol:	-255.8
Dipole, Da:	1.41
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)OCC#N

DOS

IR

Vibrations