Geometry & MOs

Info

ID:	343446
PubChem CID:	127266619
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	5.19
IP(EA), eV:	-9.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)CNC(=O)C3=NOC=C3

DOS

IR

Vibrations