Geometry & MOs

Info

ID:	358089
PubChem CID:	127295634
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-42.91
Dipole, Da:	3.94
IP(EA), eV:	-8.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCCCC(C3)N4CCCC4)C=CC=N2

DOS

IR

Vibrations