Geometry & MOs

Info

ID:	177214
PubChem CID:	76147563
Reduced:	NS2O5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	387.061043
ΔH_f, kcal/mol:	-154.11
Dipole, Da:	0.68
IP(EA), eV:	-9.38(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)N2CCC(C2)S(=O)(=O)CC3=CC=CO3

DOS

IR

Vibrations