Geometry & MOs

Info

ID:	49352
PubChem CID:	11532900
Reduced:	OF3N4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	470.135194
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	3.4
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-dibenzofuran-4-yl-3-fluorophenyl)phenyl]methylsulfanyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)NCCC2=CC=CC=N2)CC3=CN(C=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations