Geometry & MOs

Info

ID:	233424
PubChem CID:	90271494
Reduced:	ClON3F5H11C18 (1)
Stoich.:	ABC3D5E11F18 (1)
Weight, g/mol:	547.293388
ΔH_f, kcal/mol:	-208.06
Dipole, Da:	5.73
IP(EA), eV:	-9.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[(Z)-1-cyano-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NC2=C(C=CC=C2F)F)C3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations