Geometry & MOs

Info

ID:	53345
PubChem CID:	14710524
Reduced:	NSO3C20H31 (1)
Stoich.:	ABC3D20E31 (1)
Weight, g/mol:	355.1606
ΔH_f, kcal/mol:	-130.35
Dipole, Da:	7.97
IP(EA), eV:	-8.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC2CCCCC2N3CCC[C@H]3COC

DOS

IR

Vibrations