Geometry & MOs

Info

ID:	60887
PubChem CID:	26702883
Reduced:	SF2N2O3C22H26 (1)
Stoich.:	AB2C2D3E22F26 (1)
Weight, g/mol:	464.158135
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	7.39
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3

DOS

IR

Vibrations