Geometry & MOs

Info

ID:	359920
PubChem CID:	127300054
Reduced:	NSO2C7H12 (2)
Stoich.:	ABC2D7E12 (2)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-175.43
Dipole, Da:	6.45
IP(EA), eV:	-8.65(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(oxolan-3-ylmethylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)CC2CCOC2)C(=O)N3CCSCC3

DOS

IR

Vibrations