Geometry & MOs

Info

ID:	306868
PubChem CID:	125264131
Reduced:	SO2N5C14H25 (1)
Stoich.:	AB2C5D14E25 (1)
Weight, g/mol:	320.190006
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	6.8
IP(EA), eV:	-9.05(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1[C@H]2CCN(C[C@@H]2C[C@H]1CN3C=NC=N3)S(=O)(=O)C

DOS

IR

Vibrations