Geometry & MOs

Info

ID:	345108
PubChem CID:	127268868
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	6.44
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations