Geometry & MOs

Info

ID:	302843
PubChem CID:	124397441
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	313.116152
ΔH_f, kcal/mol:	-25.8
Dipole, Da:	3.68
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,8S,8aS)-1,2-diacetyloxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-8-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC2=C(C1)SC3=NCC(=O)N23

DOS

IR

Vibrations