Geometry & MOs

Info

ID:	306926
PubChem CID:	125264360
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	4.09
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,5S,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2C(=O)C3=CC=NC=C3)O[C@H]1COCC4CC4

DOS

IR

Vibrations