Geometry & MOs

Info

ID:	306856
PubChem CID:	125258869
Reduced:	SN3O4C13H19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	3.86
IP(EA), eV:	-9.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aS,7aS)-3-[furan-2-ylmethyl(methyl)amino]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@@H]2C[C@@H]3CN(CC[C@H]3O2)S(=O)(=O)C4CC4

DOS

IR

Vibrations