Geometry & MOs

Info

ID:	137411
PubChem CID:	52204779
Reduced:	FSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	395.156658
ΔH_f, kcal/mol:	-168.04
Dipole, Da:	5.89
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations