Geometry & MOs

Info

ID:	62104
PubChem CID:	26717590
Reduced:	FSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	434.131171
ΔH_f, kcal/mol:	-163.61
Dipole, Da:	4.47
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC[C@@H]1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations