Geometry & MOs

Info

ID:	344789
PubChem CID:	127268410
Reduced:	NS2O5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-197.83
Dipole, Da:	7.92
IP(EA), eV:	-9.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1OCC2=CC=CC=C2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations