Geometry & MOs

Info

ID:	138740
PubChem CID:	52418645
Reduced:	SN3O3C14H29 (1)
Stoich.:	AB3C3D14E29 (1)
Weight, g/mol:	383.167891
ΔH_f, kcal/mol:	-163.65
Dipole, Da:	5.99
IP(EA), eV:	-8.85(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-methylsulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(C)(C)CNC(=O)CNS(=O)(=O)C)C

DOS

IR

Vibrations