Geometry & MOs

Info

ID:	350947
PubChem CID:	127279235
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	357.080157
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	3.62
IP(EA), eV:	-9.57(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-2-cyclobutylpyrrolidine

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations