Geometry & MOs

Info

ID:	243464
PubChem CID:	99224160
Reduced:	N2O3C11H15 (2)
Stoich.:	A2B3C11D15 (2)
Weight, g/mol:	469.206899
ΔH_f, kcal/mol:	-166.31
Dipole, Da:	6.08
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)CC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations