Geometry & MOs

Info

ID:	306817
PubChem CID:	125258670
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	3.86
IP(EA), eV:	-9.03(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S,3aR,7aS)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CC[C@@H]3CO[C@H]([C@H]3C2)CNS(=O)(=O)C

DOS

IR

Vibrations