Geometry & MOs

Info

ID:	177211
PubChem CID:	76147560
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	309.067094
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	9.16
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-3-yl-[3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NNC(=C2)C(=O)N3CCC(C3)S(=O)(=O)CC4=CC=CO4

DOS

IR

Vibrations