Geometry & MOs

Info

ID:	243465
PubChem CID:	99224182
Reduced:	S2N3O4C22H35 (1)
Stoich.:	A2B3C4D22E35 (1)
Weight, g/mol:	469.206899
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	3.01
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-1-(4-piperidin-1-ylsulfonylphenyl)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