Geometry & MOs

Info

ID:	226578
PubChem CID:	87544230
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	7.69
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-1-(4-cyanonaphthalen-1-yl)-2-methylpyrrolidin-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CCN1C2=CC=C(C3=CC=CC=C32)C#N)O.CS(=O)(=O)O

DOS

IR

Vibrations