Geometry & MOs

Info

ID:	306865
PubChem CID:	125263970
Reduced:	SN2O4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-188.53
Dipole, Da:	4.51
IP(EA), eV:	-8.62(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-methylsulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CN1CCC(CC1)COC[C@@H]2CC[C@H]3[C@H](O2)CCN3S(=O)(=O)C

DOS

IR

Vibrations