Geometry & MOs

Info

ID:	176831
PubChem CID:	76104058
Reduced:	FNO3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	384.197045
ΔH_f, kcal/mol:	-141.35
Dipole, Da:	3.84
IP(EA), eV:	-9.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(cyclohexylsulfonylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1F)C(C(C(=O)N2)C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

DOS

IR

Vibrations