Geometry & MOs

Info

ID:	350975
PubChem CID:	127279285
Reduced:	FSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	4.52
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(2-methylpropylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CN=CC(=C2)F)C

DOS

IR

Vibrations