Geometry & MOs

Info

ID:	177285
PubChem CID:	76160696
Reduced:	SN3O6C22H33 (1)
Stoich.:	AB3C6D22E33 (1)
Weight, g/mol:	474.19032
ΔH_f, kcal/mol:	-254.06
Dipole, Da:	8.16
IP(EA), eV:	-8.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)OC3C2CC(OC3CO)CC(=O)NCCN4CCCCC4

DOS

IR

Vibrations