Geometry & MOs

Info

ID:	80661
PubChem CID:	49835794
Reduced:	NSO5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	430.133593
ΔH_f, kcal/mol:	-215.95
Dipole, Da:	4.37
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6R)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@@H]1[C@H](OC(O1)(C)C)[C@H]2CS2)C(OC)OC

DOS

IR

Vibrations