Geometry & MOs

Info

ID:	306874
PubChem CID:	125264150
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	340.236208
ΔH_f, kcal/mol:	-87.92
Dipole, Da:	3.41
IP(EA), eV:	-9.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aR)-5-(2-morpholin-4-ylethoxymethyl)-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@H]1CN([C@@H]2[C@@H]1OCCC2)CC3=NC=CS3

DOS

IR

Vibrations