Geometry & MOs

Info

ID:	155651
PubChem CID:	56366633
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-161.11
Dipole, Da:	4.71
IP(EA), eV:	-9.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations