Geometry & MOs

Info

ID:	315450
PubChem CID:	126626762
Reduced:	F3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	452.182144
ΔH_f, kcal/mol:	-272.29
Dipole, Da:	4.79
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,6-dimethyl-4-(3-methylsulfinylpropoxy)phenyl]-7-fluoro-1-phenoxy-2,3-dihydro-1H-indene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OC2CCC3=C2C=CC=C3C(F)(F)F)C4CC4C(=O)O

DOS

IR

Vibrations