Geometry & MOs

Info

ID:	405504
PubChem CID:	135074184
Reduced:	SP3N7O16C21H32 (1)
Stoich.:	AB3C7D16E21F32 (1)
Weight, g/mol:	233.101171
ΔH_f, kcal/mol:	-724.67
Dipole, Da:	5.7
IP(EA), eV:	-8.85(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-5-(1-azido-2-hydroxybutyl)oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1C(C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCS)O

DOS

IR

Vibrations