Geometry & MOs

Info

ID:	392533
PubChem CID:	135017101
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	595.139332
ΔH_f, kcal/mol:	-93.03
Dipole, Da:	3.88
IP(EA), eV:	-9.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R,5R)-5-acetamido-4-acetyloxy-2-ethoxycarbothioylsulfanyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)[N+](=O)[O-])CC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations