Geometry & MOs

Info

ID:	219508
PubChem CID:	85148775
Reduced:	PSN7O8C17H28 (1)
Stoich.:	ABC7D8E17F28 (1)
Weight, g/mol:	519.19519
ΔH_f, kcal/mol:	-356.45
Dipole, Da:	9.44
IP(EA), eV:	-9.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[(1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)C(C)OP(=O)(NCC(=O)OC)SCC(=O)NC)N=[N+]=[N-]

DOS

IR

Vibrations