Geometry & MOs

Info

ID:	49240
PubChem CID:	11532232
Reduced:	FSN3O6C19H22 (1)
Stoich.:	ABC3D6E19F22 (1)
Weight, g/mol:	439.199488
ΔH_f, kcal/mol:	-247.39
Dipole, Da:	4.58
IP(EA), eV:	-9.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6S,7S,8R)-1-acetyloxy-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] acetate

Drug info:

PubChemData

Smile

CC1(C2=NC(C(=O)C(=O)N2CCCO1)C(=O)NCC3=C(C=C(C=C3)F)S(=O)(=O)C)C

DOS

IR

Vibrations