Geometry & MOs

Info

ID:	80665
PubChem CID:	49835806
Reduced:	NO7C16H29 (1)
Stoich.:	AB7C16D29 (1)
Weight, g/mol:	446.110749
ΔH_f, kcal/mol:	-349.95
Dipole, Da:	3.93
IP(EA), eV:	-9.75(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@@H]1[C@H](OC(O1)(C)C)[C@H]2COC(O2)(C)C)C(OC)OC

DOS

IR

Vibrations