Geometry & MOs

Info

ID:	294295
PubChem CID:	117451666
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	6.14
IP(EA), eV:	-9.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(oxetan-3-ylsulfonyl)phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=CC=C(C=C2)S(=O)(=O)C3COC3)N

DOS

IR

Vibrations