Geometry & MOs

Info

ID:	53346
PubChem CID:	14710531
Reduced:	NSO2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	399.186815
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	5.52
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(benzenesulfonylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methoxymethyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CCN(C1)C2C(CCC3=CC=CC=C23)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations