Geometry & MOs

Info

ID:	382031
PubChem CID:	134972934
Reduced:	N5O7C15H26 (1)
Stoich.:	A5B7C15D26 (1)
Weight, g/mol:	387.175398
ΔH_f, kcal/mol:	-251.13
Dipole, Da:	5.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754261
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-5-acetyloxy-6-amino-2-(azidomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C(O[C@H](C(C1NC(=O)OC(C)(C)C)OC(=O)C)[NH3+])CN=[N+]=[N-]

DOS

IR

Vibrations