Geometry & MOs

Info

ID:	146222
PubChem CID:	53653662
Reduced:	O2H14C19 (1)
Stoich.:	A2B14C19 (1)
Weight, g/mol:	296.088244
ΔH_f, kcal/mol:	10.77
Dipole, Da:	5.39
IP(EA), eV:	-8.7(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylsulfanyl-5-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=C2C=C3C=CC=CC3=C2C(=O)O)C4=CC=CC=C41

DOS

IR

Vibrations