Geometry & MOs

Info

ID:	350105
PubChem CID:	127277183
Reduced:	S2O3N4C13H20 (1)
Stoich.:	A2B3C4D13E20 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-90.66
Dipole, Da:	10.11
IP(EA), eV:	-8.15(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations