Geometry & MOs

Info

ID:	381255
PubChem CID:	134971936
Reduced:	N2O6C15H28 (1)
Stoich.:	A2B6C15D28 (1)
Weight, g/mol:	503.226765
ΔH_f, kcal/mol:	-309.7
Dipole, Da:	4.18
IP(EA), eV:	-9.75(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,4aR,5R,6R,8R,8aR)-4-azido-5-formyl-3-hydroxy-3-methyl-2-(oxan-2-yloxy)-6-phenylmethoxy-2,4,4a,5,6,7,8,8a-octahydrochromen-8-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CN([C@H](C[C@@H]1OCOC)CO)C(=O)OC(C)(C)C

DOS

IR

Vibrations