Geometry & MOs

Info

ID:	184867
PubChem CID:	77221438
Reduced:	ClFN2O2H6C12 (1)
Stoich.:	ABC2D2E6F12 (1)
Weight, g/mol:	430.290552
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	6.78
IP(EA), eV:	-10.32(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-icosa-5,8,11,14,17-pentaenylsulfanylcyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C(C=NC2=O)Cl)O)F)C#N

DOS

IR

Vibrations