Geometry & MOs

Info

ID:	366390
PubChem CID:	127319871
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-121.86
Dipole, Da:	2.68
IP(EA), eV:	-9.0(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyazetidin-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)N3CC(C3)OC

DOS

IR

Vibrations