Geometry & MOs

Info

ID:	80662
PubChem CID:	49835795
Reduced:	N2O5C8H11 (2)
Stoich.:	A2B5C8D11 (2)
Weight, g/mol:	278.068491
ΔH_f, kcal/mol:	-388.8
Dipole, Da:	5.39
IP(EA), eV:	-10.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azido-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)thian-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C

DOS

IR

Vibrations