Geometry & MOs

Info

ID:	358074
PubChem CID:	127295619
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	386.106706
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	2.57
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]pyrrolidin-3-yl]piperidine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)N3CCC(C3)N4CCCCC4)C=CC=N2

DOS

IR

Vibrations