Geometry & MOs

Info

ID:	243466
PubChem CID:	99224183
Reduced:	S2N3O4C22H35 (1)
Stoich.:	A2B3C4D22E35 (1)
Weight, g/mol:	396.208279
ΔH_f, kcal/mol:	-159.14
Dipole, Da:	2.43
IP(EA), eV:	-8.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(2R,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)S(=O)(=O)N4CCCCC4)C

DOS

IR

Vibrations