Geometry & MOs

Info

ID:	177284
PubChem CID:	76160250
Reduced:	SN2O7C23H30 (1)
Stoich.:	AB2C7D23E30 (1)
Weight, g/mol:	467.209007
ΔH_f, kcal/mol:	-257.99
Dipole, Da:	4.95
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-piperidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CC2CCC(C(O2)CO)NS(=O)(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations