Geometry & MOs

Info

ID:	284748
PubChem CID:	104067787
Reduced:	NSF4O4H9C11 (1)
Stoich.:	ABC4D4E9F11 (1)
Weight, g/mol:	298.103894
ΔH_f, kcal/mol:	-336.48
Dipole, Da:	6.2
IP(EA), eV:	-9.57(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethylcyclohexyl)sulfinyl-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)CC(=O)NCC(F)(F)F)C(=O)O)F

DOS

IR

Vibrations