Geometry & MOs

Info

ID:	243467
PubChem CID:	99224184
Reduced:	SN2O4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	396.208279
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	7.26
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](N1[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OCCOC)C

DOS

IR

Vibrations