Geometry & MOs

Info

ID:	323399
PubChem CID:	126674697
Reduced:	ClO2N3F6H12C22 (1)
Stoich.:	AB2C3D6E12F22 (1)
Weight, g/mol:	444.178418
ΔH_f, kcal/mol:	-299.5
Dipole, Da:	1.47
IP(EA), eV:	-9.33(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonylphenyl) 4-[2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethoxy]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)OC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl

DOS

IR

Vibrations