Geometry & MOs

Info

ID:	177216
PubChem CID:	76147565
Reduced:	NS3O5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	391.035971
ΔH_f, kcal/mol:	-150.04
Dipole, Da:	4.5
IP(EA), eV:	-9.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)N2CCC(C2)S(=O)(=O)CC3=CC=CO3

DOS

IR

Vibrations