Geometry & MOs

Info

ID:	60797
PubChem CID:	26702295
Reduced:	SF2N3O4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	492.153049
ΔH_f, kcal/mol:	-186.24
Dipole, Da:	6.19
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations