Geometry & MOs

Info

ID:	307027
PubChem CID:	125264691
Reduced:	S2N3O4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	5.06
IP(EA), eV:	-9.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,5S,7aS)-5-[2-(dimethylamino)ethoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-3-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@H]1CN([C@@H]2[C@@H]1OCCC2)C(=O)C3=CSC=N3

DOS

IR

Vibrations