Geometry & MOs

Info

ID:	358083
PubChem CID:	127295628
Reduced:	SO2N4C14H24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	8.44
IP(EA), eV:	-8.17(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations