Geometry & MOs

Info

ID:	134366
PubChem CID:	51686292
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	434.1334
ΔH_f, kcal/mol:	-137.44
Dipole, Da:	9.01
IP(EA), eV:	-9.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-phenyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine

Drug info:

PubChemData

Smile

CC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C

DOS

IR

Vibrations