Geometry & MOs

Info

ID:	178572
PubChem CID:	76350593
Reduced:	SN4O5C24H26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	-139.16
Dipole, Da:	6.39
IP(EA), eV:	-9.15(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)CNC(=O)C3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations